Glycoside
...
GD097657

Name:
None

Formula:
C22H27O10N3

Smiles:
CC(=O)OC[C@H]1O[C@@H](OC(C)=O)[C@H](Nc2cc3c(cn2)C(=O)NCC3)[C@@H](OC(C)=O)[C@@H]1OC(C)=O

Aglycone:
COC(C)=O.Nc1cc2c(cn1)C(=O)NCC2

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

Other Identifiers

Properties
HBA: 13 RingCount: 3
HBD: 2 FractionCSP3: 0.55
AlogP: -0.14 Num_rotatable_bonds: 7
MolWt: 493.47 Num_heavy_atoms: 35
TPSA: 168.45 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
AD41575
Formula: C8H9ON3

Smiles:
Nc1cc2c(cn1)C(=O)NCC2
HBA: 4 RingCount: 2
HBD: 3 FractionCSP3: 0.25
AlogP: -0.05 Num_rotatable_bonds: 0
MolWt: 163.18 Num_heavy_atoms: 12
TPSA: 68.01 NumAromaticRings: 1

Sugarmoiety
SD00889

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