Glycoside
...
GD100378

Name:
None

Formula:
C21H28O10N3

Smiles:
CC(=O)OC[C@H]1O[C@@H](OC(C)=O)[C@H](Nc2ccc3c([nH+]2)NCCO3)[C@@H](OC(C)=O)[C@@H]1OC(C)=O

Aglycone:
COC(C)=O.Nc1ccc2c([nH+]1)NCCO2

Sugarmoiety:
CC(=O)OC1OC(O)C(OC(C)=O)C(OC(C)=O)C1O

Other Identifiers

Properties
HBA: 13 RingCount: 3
HBD: 3 FractionCSP3: 0.57
AlogP: -0.2 Num_rotatable_bonds: 7
MolWt: 482.47 Num_heavy_atoms: 34
TPSA: 161.86 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
AD42414
Formula: C7H10ON3

Smiles:
Nc1ccc2c([nH+]1)NCCO2
HBA: 4 RingCount: 2
HBD: 4 FractionCSP3: 0.29
AlogP: -0.11 Num_rotatable_bonds: 0
MolWt: 152.18 Num_heavy_atoms: 11
TPSA: 61.42 NumAromaticRings: 1

Sugarmoiety
SD00889

CC(=O)OC1OC(O)C(OC(C)=O)C(OC(C)=O)C1O