Glycoside
...
GD124078

Name:
8-Glucosyl-7-Hydroxy-5-Methyl-2-(1-Propenyl)-4H-1-Benzopyran-4-One; 7-Me Ether, 2'-O-(4-Hydroxy-E-Cinnamoyl)

Formula:
C29H30O10

Smiles:
CC=Cc1cc(=O)c2c(C)cc(OC)c(C3OC(CO)C(O)C(O)C3OC(=O)C=Cc3ccc(O)cc3)c2o1

Aglycone:
CC=Cc1cc(=O)c2c(C)cc(OC)cc2o1.O=C(O)C=Cc1ccc(O)cc1

Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 10 RingCount: 4
HBD: 4 FractionCSP3: 0.31
AlogP: 2.63 Num_rotatable_bonds: 7
MolWt: 538.55 Num_heavy_atoms: 39
TPSA: 155.89 NumAromaticRings: 3

Unique Aglycone
AD00021
Formula: C9H8O3

Smiles:
O=C(O)C=Cc1ccc(O)cc1
HBA: 3 RingCount: 1
HBD: 2 FractionCSP3: 0.0
AlogP: 1.49 Num_rotatable_bonds: 2
MolWt: 164.16 Num_heavy_atoms: 12
TPSA: 57.53 NumAromaticRings: 1
AD50099
Formula: C14H14O3

Smiles:
CC=Cc1cc(=O)c2c(C)cc(OC)cc2o1
HBA: 3 RingCount: 2
HBD: 0 FractionCSP3: 0.21
AlogP: 3.14 Num_rotatable_bonds: 2
MolWt: 230.26 Num_heavy_atoms: 17
TPSA: 39.44 NumAromaticRings: 2

Sugarmoiety
SD00003

OCC1OC(O)C(O)C(O)C1O