Glycoside
...
GD154038

Name:
6-[(7-hydroperoxy-3,7-dimethylocta-2,5-dien-1-yl)oxy]-5-hydroxy-2-(hydroxymethyl)-4-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-3-yl 3-(4-hydroxyphenyl)prop-2-enoate

Formula:
C31H44O14

Smiles:
CC(=CCOC1OC(CO)C(OC(=O)C=Cc2ccc(O)cc2)C(OC2OC(C)C(O)C(O)C2O)C1O)CC=CC(C)(C)OO

Aglycone:
CC(=CCO)CC=CC(C)(C)OO.O=C(O)C=Cc1ccc(O)cc1

Sugarmoiety:
CC1OC(OC2C(O)C(O)OC(CO)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 14 RingCount: 3
HBD: 7 FractionCSP3: 0.58
AlogP: 0.79 Num_rotatable_bonds: 13
MolWt: 640.68 Num_heavy_atoms: 45
TPSA: 214.06 NumAromaticRings: 1

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
AD61220
Formula: C10H18O3

Smiles:
CC(=CCO)CC=CC(C)(C)OO
HBA: 3 RingCount: 0
HBD: 2 FractionCSP3: 0.6
AlogP: 2.14 Num_rotatable_bonds: 5
MolWt: 186.25 Num_heavy_atoms: 13
TPSA: 49.69 NumAromaticRings: 0

Sugarmoiety
SD00323

CC1OC(OC2C(O)C(O)OC(CO)C2O)C(O)C(O)C1O