Glycoside
...
GD099037

Name:
None

Formula:
C21H31O9N2

Smiles:
CC(=O)OC[C@H]1O[C@@H](OC(C)=O)[C@H](N[C@@H]2C[C@H]3C=C[C@@H](C2)[NH2+]3)[C@@H](OC(C)=O)[C@@H]1OC(C)=O

Aglycone:
COC(C)=O.NC1CC2C=CC(C1)[NH2+]2

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

Other Identifiers

Properties
HBA: 11 RingCount: 3
HBD: 3 FractionCSP3: 0.71
AlogP: -1.31 Num_rotatable_bonds: 7
MolWt: 455.48 Num_heavy_atoms: 32
TPSA: 143.07 NumAromaticRings: 0

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
AD42156
Formula: C7H13N2

Smiles:
NC1CC2C=CC(C1)[NH2+]2
HBA: 2 RingCount: 2
HBD: 4 FractionCSP3: 0.71
AlogP: -1.02 Num_rotatable_bonds: 0
MolWt: 125.19 Num_heavy_atoms: 9
TPSA: 42.63 NumAromaticRings: 0

Sugarmoiety
SD00889

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