Glycoside
...
GD096866

Name:
None

Formula:
C20H22O11N4

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

Aglycone:
COC(C)=O.O=C(O)Cn1cc(-c2c[nH]c(=O)[nH]c2=O)cn1

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

Other Identifiers

Properties
HBA: 15 RingCount: 3
HBD: 2 FractionCSP3: 0.45
AlogP: -1.19 Num_rotatable_bonds: 8
MolWt: 494.41 Num_heavy_atoms: 35
TPSA: 198.11 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
AD41179
Formula: C9H8O4N4

Smiles:
O=C(O)Cn1cc(-c2c[nH]c(=O)[nH]c2=O)cn1
HBA: 8 RingCount: 2
HBD: 3 FractionCSP3: 0.11
AlogP: -0.99 Num_rotatable_bonds: 3
MolWt: 236.19 Num_heavy_atoms: 17
TPSA: 120.84 NumAromaticRings: 2

Sugarmoiety
SD00105

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