Glycoside
...
GD099009

Name:
None

Formula:
C21H26O9N5

Smiles:
CC(=O)OC[C@H]1O[C@@H](n2cc(-c3cnn(C4C[NH2+]C4)c3)c(=O)[nH]c2=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O

Aglycone:
COC(C)=O.O=c1[nH]cc(-c2cnn(C3C[NH2+]C3)c2)c(=O)[nH]1

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

Other Identifiers

Properties
HBA: 14 RingCount: 4
HBD: 3 FractionCSP3: 0.52
AlogP: -2.16 Num_rotatable_bonds: 7
MolWt: 492.47 Num_heavy_atoms: 35
TPSA: 177.42 NumAromaticRings: 2

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
AD42145
Formula: C10H12O2N5

Smiles:
O=c1[nH]cc(-c2cnn(C3C[NH2+]C3)c2)c(=O)[nH]1
HBA: 7 RingCount: 3
HBD: 4 FractionCSP3: 0.3
AlogP: -1.96 Num_rotatable_bonds: 2
MolWt: 234.24 Num_heavy_atoms: 17
TPSA: 100.15 NumAromaticRings: 2

Sugarmoiety
SD00105

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