Glycoside
...
GD096317

Name:
None

Formula:
C21H31O10N4

Smiles:
CC(=O)OC[C@H]1O[C@@H](n2cc(NC[C@H]3C[N@H+](C)CCO3)c(=O)[nH]c2=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O

Aglycone:
COC(C)=O.C[NH+]1CCOC(CNc2c[nH]c(=O)[nH]c2=O)C1

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

Other Identifiers

Properties
HBA: 14 RingCount: 3
HBD: 3 FractionCSP3: 0.67
AlogP: -2.81 Num_rotatable_bonds: 8
MolWt: 499.5 Num_heavy_atoms: 35
TPSA: 168.69 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
AD40964
Formula: C10H17O3N4

Smiles:
C[NH+]1CCOC(CNc2c[nH]c(=O)[nH]c2=O)C1
HBA: 7 RingCount: 2
HBD: 4 FractionCSP3: 0.6
AlogP: -2.61 Num_rotatable_bonds: 3
MolWt: 241.27 Num_heavy_atoms: 17
TPSA: 91.42 NumAromaticRings: 1

Sugarmoiety
SD00105

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