Glycoside
...
GD003271

Name:
None

Formula:
C34H49O18N13P2

Smiles:
C[C@H](CN)C(=O)N[C@H]1[C@H](O)[C@@H](n2cnc3c(N(C)C)ncnc32)O[C@H]1COP(=O)(O)O[C@@H]1[C@H](COP(=O)(O)O[C@@H]2[C@H](CO)O[C@H](n3ccc(N)nc3=O)[C@H]2O)O[C@H](n2ccc(N)nc2=O)[C@H]1O

Aglycone:
CC(CN)C(=O)NC1C(COP(=O)(O)O)OC(n2cnc3c(N(C)C)ncnc32)C1O.COP(=O)(O)O.Nc1cc[nH]c(=O)n1.Nc1cc[nH]c(=O)n1

Sugarmoiety:
OC1OC(O)C(O)C1O.OCC1OC(O)C(O)C1O

Other Identifiers

Properties
HBA: 31 RingCount: 7
HBD: 13 FractionCSP3: 0.59
AlogP: -4.58 Num_rotatable_bonds: 18
MolWt: 989.79 Num_heavy_atoms: 67
TPSA: 443.91 NumAromaticRings: 4

Unique Aglycone
AD00079
Formula: CH5O4P

Smiles:
COP(=O)(O)O
HBA: 4 RingCount: 0
HBD: 2 FractionCSP3: 1.0
AlogP: -0.27 Num_rotatable_bonds: 1
MolWt: 112.02 Num_heavy_atoms: 6
TPSA: 66.76 NumAromaticRings: 0
AD00115
Formula: C4H5ON3

Smiles:
Nc1cc[nH]c(=O)n1
HBA: 4 RingCount: 1
HBD: 3 FractionCSP3: 0.0
AlogP: -0.65 Num_rotatable_bonds: 0
MolWt: 111.1 Num_heavy_atoms: 8
TPSA: 71.77 NumAromaticRings: 1
AD02980
Formula: C16H26O7N7P

Smiles:
CC(CN)C(=O)NC1C(COP(=O)(O)O)OC(n2cnc3c(N(C)C)ncnc32)C1O
HBA: 14 RingCount: 3
HBD: 6 FractionCSP3: 0.62
AlogP: -1.66 Num_rotatable_bonds: 8
MolWt: 459.4 Num_heavy_atoms: 31
TPSA: 198.18 NumAromaticRings: 2

Sugarmoiety
SD00153

OC1OC(O)C(O)C1O.OCC1OC(O)C(O)C1O