Glycoside
...
GD019009

Name:
None

Formula:
C33H44O19N15P3

Smiles:
Cc1nc(N)c2ncn([C@@H]3O[C@H](COP(=O)(O)O[C@@H]4[C@H](O)[C@H](COP(=O)(O)O[C@@H]5[C@H](O)[C@H](COP(=O)(O)O)O[C@H]5n5cnc6c(N)nc(C)nc65)O[C@H]4n4cnc5c(N)nc(C)nc54)[C@H](O)[C@H]3O)c2n1

Aglycone:
COP(=O)(O)O.COP(=O)(O)O.COP(=O)(O)O.Cc1nc(N)c2c(n1)[N]C=N2.Cc1nc(N)c2c(n1)[N]C=N2.Cc1nc(N)c2c(n1)[N]C=N2

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

Other Identifiers

Properties
HBA: 34 RingCount: 9
HBD: 14 FractionCSP3: 0.55
AlogP: -2.57 Num_rotatable_bonds: 16
MolWt: 1047.72 Num_heavy_atoms: 70
TPSA: 495.75 NumAromaticRings: 6

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
AD01302
Formula: C6H6N5

Smiles:
Cc1nc(N)c2c(n1)[N]C=N2
HBA: 5 RingCount: 2
HBD: 2 FractionCSP3: 0.17
AlogP: 0.28 Num_rotatable_bonds: 0
MolWt: 148.15 Num_heavy_atoms: 11
TPSA: 78.26 NumAromaticRings: 1

Sugarmoiety
SD00353

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