Glycoside
...
GD099036

Name:
None

Formula:
C21H33O9N2

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

Aglycone:
COC(C)=O.NC1CC2CCC(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: 0.81
AlogP: -1.08 Num_rotatable_bonds: 7
MolWt: 457.5 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
AD42155
Formula: C7H15N2

Smiles:
NC1CC2CCC(C1)[NH2+]2
HBA: 2 RingCount: 2
HBD: 4 FractionCSP3: 1.0
AlogP: -0.8 Num_rotatable_bonds: 0
MolWt: 127.21 Num_heavy_atoms: 9
TPSA: 42.63 NumAromaticRings: 0

Sugarmoiety
SD00889

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