Glycoside
...
GD103996

Name:
None

Formula:
C23H26O9N2

Smiles:
CC(=O)N[C@@H]1[C@H](Oc2cccc3cccnc23)O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O

Aglycone:
COC(C)=O.Oc1cccc2cccnc12

Sugarmoiety:
CC(=O)NC1C(O)OC(O)C(OC(C)=O)C1OC(C)=O

Other Identifiers

Properties
HBA: 11 RingCount: 3
HBD: 1 FractionCSP3: 0.43
AlogP: 1.27 Num_rotatable_bonds: 7
MolWt: 474.47 Num_heavy_atoms: 34
TPSA: 139.35 NumAromaticRings: 2

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
AD15598
Formula: C9H7ON

Smiles:
Oc1cccc2cccnc12
HBA: 2 RingCount: 2
HBD: 1 FractionCSP3: 0.0
AlogP: 1.94 Num_rotatable_bonds: 0
MolWt: 145.16 Num_heavy_atoms: 11
TPSA: 33.12 NumAromaticRings: 2

Sugarmoiety
SD00131

CC(=O)NC1C(O)OC(O)C(OC(C)=O)C1OC(C)=O