Glycoside
...
GD024654

Name:
None

Formula:
C130H161O70N53P12S11

Smiles:
Cc1cn([C@@H]2C[C@H](OP(=O)(O)OC[C@@H]3O[C@H](n4cnc5c(=O)[nH]c(N)nc54)[C@H](O)[C@H]3O)[C@H](COP(=O)(O)O[C@@H]3C[C@H](n4cnc5c(=S)[nH]c(N)nc54)O[C@H]3COP(=O)(O)O[C@@H]3C[C@H](n4cnc5c(=S)[nH]c(N)nc54)O[C@H]3COP(=O)(O)O[C@@H]3C[C@H](n4cc(C)c(=S)[nH]c4=O)O[C@H]3COP(=O)(O)O[C@@H]3C[C@H](n4cnc5c(=S)[nH]c(N)nc54)O[C@H]3COP(=O)(O)O[C@@H]3C[C@H](n4cnc5c(=S)[nH]c(N)nc54)O[C@H]3COP(=O)(O)O[C@@H]3C[C@H](n4cc(C)c(=S)[nH]c4=O)O[C@H]3COP(=O)(O)O[C@@H]3C[C@H](n4cnc5c(=S)[nH]c(N)nc54)O[C@H]3COP(=O)(O)O[C@@H]3C[C@H](n4cnc5c(=S)[nH]c(N)nc54)O[C@H]3COP(=O)(O)O[C@@H]3C[C@H](n4cc(C)c(=S)[nH]c4=O)O[C@H]3COP(=O)(O)O[C@@H]3C[C@H](n4cnc5c(=S)[nH]c(N)nc54)O[C@H]3COP(=O)(O)O[C@@H]3C[C@H](n4cnc5c(=S)[nH]c(N)nc54)O[C@H]3CO)O2)c(=O)[nH]c1=O

Aglycone:
COP(=O)(O)OC1CC(n2cc(C)c(=O)[nH]c2=O)OC1COP(=O)(O)OC1CC(n2cnc3c(=S)[nH]c(N)nc32)OC1COP(=O)(O)OC1CC(n2cnc3c(=S)[nH]c(N)nc32)OC1COP(=O)(O)OC1CC(n2cc(C)c(=S)[nH]c2=O)OC1COP(=O)(O)OC1CC(n2cnc3c(=S)[nH]c(N)nc32)OC1COP(=O)(O)OC1CC(n2cnc3c(=S)[nH]c(N)nc32)OC1COP(=O)(O)OC1CC(n2cc(C)c(=S)[nH]c2=O)OC1COP(=O)(O)OC1CC(n2cnc3c(=S)[nH]c(N)nc32)OC1COP(=O)(O)OC1CC(n2cnc3c(=S)[nH]c(N)nc32)OC1COP(=O)(O)OC1CC(n2cc(C)c(=S)[nH]c2=O)OC1COP(=O)(O)OC1CC(n2cnc3c(=S)[nH]c(N)nc32)OC1COP(=O)(O)OC1CC(n2cnc3c(=S)[nH]c(N)nc32)OC1CO.Nc1nc2c(c(=O)[nH]1)N=C[N]2

Sugarmoiety:
OC1OC(O)C(O)C1O

Other Identifiers

Properties
HBA: 123 RingCount: 35
HBD: 46 FractionCSP3: 0.53
AlogP: 7.01 Num_rotatable_bonds: 74
MolWt: 4310.44 Num_heavy_atoms: 276
TPSA: 1687.78 NumAromaticRings: 22

Unique Aglycone
AD00207
Formula: C5H4ON5

Smiles:
Nc1nc2c(c(=O)[nH]1)N=C[N]2
HBA: 6 RingCount: 2
HBD: 3 FractionCSP3: 0.0
AlogP: -0.74 Num_rotatable_bonds: 0
MolWt: 150.12 Num_heavy_atoms: 11
TPSA: 98.23 NumAromaticRings: 1
AD16431
Formula: C121H152O66N48P12S11

Smiles:
COP(=O)(O)OC1CC(n2cc(C)c(=O)[nH]c2=O)OC1COP(=O)(O)OC1CC(n2cnc3c(=S)[nH]c(N)nc32)OC1COP(=O)(O)OC1CC(n2cnc3c(=S)[nH]c(N)nc32)OC1COP(=O)(O)OC1CC(n2cc(C)c(=S)[nH]c2=O)OC1COP(=O)(O)OC1CC(n2cnc3c(=S)[nH]c(N)nc32)OC1COP(=O)(O)OC1CC(n2cnc3c(=S)[nH]c(N)nc32)OC1COP(=O)(O)OC1CC(n2cc(C)c(=S)[nH]c2=O)OC1COP(=O)(O)OC1CC(n2cnc3c(=S)[nH]c(N)nc32)OC1COP(=O)(O)OC1CC(n2cnc3c(=S)[nH]c(N)nc32)OC1COP(=O)(O)OC1CC(n2cc(C)c(=S)[nH]c2=O)OC1COP(=O)(O)OC1CC(n2cnc3c(=S)[nH]c(N)nc32)OC1COP(=O)(O)OC1CC(n2cnc3c(=S)[nH]c(N)nc32)OC1CO
HBA: 114 RingCount: 32
HBD: 41 FractionCSP3: 0.54
AlogP: 9.3 Num_rotatable_bonds: 71
MolWt: 4059.24 Num_heavy_atoms: 258
TPSA: 1548.5 NumAromaticRings: 20

Sugarmoiety
SD00018

OC1OC(O)C(O)C1O