Glycoside
...
GD109814

Name:
None

Formula:
C27H29O11N

Smiles:
CC(=O)N[C@H]1[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H](COC(C)=O)O[C@@H]1Oc1ccc(C(=O)/C=C/c2ccco2)cc1

Aglycone:
COC(C)=O.O=C(C=Cc1ccco1)c1ccc(O)cc1

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

Other Identifiers

Properties
HBA: 12 RingCount: 3
HBD: 1 FractionCSP3: 0.37
AlogP: 2.21 Num_rotatable_bonds: 10
MolWt: 543.53 Num_heavy_atoms: 39
TPSA: 156.67 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
AD44564
Formula: C13H10O3

Smiles:
O=C(C=Cc1ccco1)c1ccc(O)cc1
HBA: 3 RingCount: 2
HBD: 1 FractionCSP3: 0.0
AlogP: 2.88 Num_rotatable_bonds: 3
MolWt: 214.22 Num_heavy_atoms: 16
TPSA: 50.44 NumAromaticRings: 2

Sugarmoiety
SD00131

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