Glycoside
...
GD110518

Name:
None

Formula:
C29H31O10N

Smiles:
CC(=O)N[C@@H]1[C@H](Oc2ccc(C(=O)/C=C\c3ccccc3)cc2)O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O

Aglycone:
COC(C)=O.O=C(C=Cc1ccccc1)c1ccc(O)cc1

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

Other Identifiers

Properties
HBA: 11 RingCount: 3
HBD: 1 FractionCSP3: 0.34
AlogP: 2.62 Num_rotatable_bonds: 10
MolWt: 553.56 Num_heavy_atoms: 40
TPSA: 143.53 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
AD40372
Formula: C15H12O2

Smiles:
O=C(C=Cc1ccccc1)c1ccc(O)cc1
HBA: 2 RingCount: 2
HBD: 1 FractionCSP3: 0.0
AlogP: 3.29 Num_rotatable_bonds: 3
MolWt: 224.26 Num_heavy_atoms: 17
TPSA: 37.3 NumAromaticRings: 2

Sugarmoiety
SD00131

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