Glycoside
...
GD108013

Name:
None

Formula:
C27H35O12N

Smiles:
CC(=O)OC[C@@H]1O[C@H](Oc2ccccc2C(=O)N2C[C@@H](C)O[C@H](C)C2)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O

Aglycone:
CC1CN(C(=O)c2ccccc2O)CC(C)O1.COC(C)=O

Sugarmoiety:
CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=O

Other Identifiers

Properties
HBA: 13 RingCount: 3
HBD: 0 FractionCSP3: 0.59
AlogP: 1.4 Num_rotatable_bonds: 8
MolWt: 565.57 Num_heavy_atoms: 40
TPSA: 153.2 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
AD44372
Formula: C13H17O3N

Smiles:
CC1CN(C(=O)c2ccccc2O)CC(C)O1
HBA: 4 RingCount: 2
HBD: 1 FractionCSP3: 0.46
AlogP: 1.64 Num_rotatable_bonds: 1
MolWt: 235.28 Num_heavy_atoms: 17
TPSA: 49.77 NumAromaticRings: 1

Sugarmoiety
SD00012

CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=O