Glycoside
...
GD093674

Name:
None

Formula:
C18H22O12N4

Smiles:
CC(=O)OC[C@@H]1O[C@@H](Nc2[nH]c(=O)[nH]c(=O)c2N=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O

Aglycone:
COC(C)=O.Nc1[nH]c(=O)[nH]c(=O)c1N=O

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

Other Identifiers

Properties
HBA: 16 RingCount: 2
HBD: 3 FractionCSP3: 0.56
AlogP: -1.04 Num_rotatable_bonds: 8
MolWt: 486.39 Num_heavy_atoms: 34
TPSA: 221.61 NumAromaticRings: 1

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
AD40440
Formula: C4H4O3N4

Smiles:
Nc1[nH]c(=O)[nH]c(=O)c1N=O
HBA: 7 RingCount: 1
HBD: 4 FractionCSP3: 0.0
AlogP: -0.96 Num_rotatable_bonds: 1
MolWt: 156.1 Num_heavy_atoms: 11
TPSA: 121.17 NumAromaticRings: 1

Sugarmoiety
SD00012

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