Glycoside
...
GD097977

Name:
None

Formula:
C21H21O9N5

Smiles:
CC(=O)OC[C@H]1O[C@@H](n2cc(-c3cnn4cccnc34)c(=O)[nH]c2=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O

Aglycone:
COC(C)=O.O=c1[nH]cc(-c2cnn3cccnc23)c(=O)[nH]1

Sugarmoiety:
CC(=O)OC1C(O)OC(O)C1OC(C)=O

Other Identifiers

Properties
HBA: 14 RingCount: 4
HBD: 1 FractionCSP3: 0.38
AlogP: -0.43 Num_rotatable_bonds: 6
MolWt: 487.43 Num_heavy_atoms: 35
TPSA: 173.18 NumAromaticRings: 3

Unique Aglycone
AD00017
Formula: C3H6O2

Smiles:
COC(C)=O
HBA: 2 RingCount: 0
HBD: 0 FractionCSP3: 0.67
AlogP: 0.18 Num_rotatable_bonds: 0
MolWt: 74.08 Num_heavy_atoms: 5
TPSA: 26.3 NumAromaticRings: 0
AD41674
Formula: C10H7O2N5

Smiles:
O=c1[nH]cc(-c2cnn3cccnc23)c(=O)[nH]1
HBA: 7 RingCount: 3
HBD: 2 FractionCSP3: 0.0
AlogP: -0.23 Num_rotatable_bonds: 1
MolWt: 229.2 Num_heavy_atoms: 17
TPSA: 95.91 NumAromaticRings: 3

Sugarmoiety
SD00105

CC(=O)OC1C(O)OC(O)C1OC(C)=O