Glycoside
...
GD103445

Name:
None

Formula:
C22H30O10N3

Smiles:
CC(=O)OC[C@H]1O[C@@H](OC(C)=O)[C@H](Nc2ccc3c(n2)OCC[NH2+]C3)[C@@H](OC(C)=O)[C@@H]1OC(C)=O

Aglycone:
COC(C)=O.Nc1ccc2c(n1)OCC[NH2+]C2

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

Other Identifiers

Properties
HBA: 13 RingCount: 3
HBD: 3 FractionCSP3: 0.59
AlogP: -0.97 Num_rotatable_bonds: 7
MolWt: 496.49 Num_heavy_atoms: 35
TPSA: 165.19 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
AD43798
Formula: C8H12ON3

Smiles:
Nc1ccc2c(n1)OCC[NH2+]C2
HBA: 4 RingCount: 2
HBD: 4 FractionCSP3: 0.38
AlogP: -0.88 Num_rotatable_bonds: 0
MolWt: 166.2 Num_heavy_atoms: 12
TPSA: 64.75 NumAromaticRings: 1

Sugarmoiety
SD00889

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