Glycoside
...
GD097976

Name:
None

Formula:
C20H24O9N4

Smiles:
CC(=O)OC[C@H]1O[C@@H](n2cc(-c3cnn(C)c3C)c(=O)[nH]c2=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O

Aglycone:
COC(C)=O.Cc1c(-c2c[nH]c(=O)[nH]c2=O)cnn1C

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

Other Identifiers

Properties
HBA: 13 RingCount: 3
HBD: 1 FractionCSP3: 0.5
AlogP: -0.43 Num_rotatable_bonds: 6
MolWt: 464.43 Num_heavy_atoms: 33
TPSA: 160.81 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
AD41673
Formula: C9H10O2N4

Smiles:
Cc1c(-c2c[nH]c(=O)[nH]c2=O)cnn1C
HBA: 6 RingCount: 2
HBD: 2 FractionCSP3: 0.22
AlogP: -0.23 Num_rotatable_bonds: 1
MolWt: 206.2 Num_heavy_atoms: 15
TPSA: 83.54 NumAromaticRings: 2

Sugarmoiety
SD00105

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