Glycoside
...
GD129117

Name:
2-[(acetyloxy)methyl]-6-{[2,5-bis(hydroxymethyl)-3-[(3-phenylprop-2-enoyl)oxy]-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxolan-2-yl]oxy}-4,5-dihydroxyoxan-3-yl 3-(4-hydroxyphenyl)prop-2-enoate

Formula:
C38H46O20

Smiles:
CC(=O)OCC1OC(OC2(CO)OC(CO)C(OC3OC(CO)C(O)C(O)C3O)C2OC(=O)C=Cc2ccccc2)C(O)C(O)C1OC(=O)C=Cc1ccc(O)cc1

Aglycone:
COC(C)=O.O=C(O)C=Cc1ccc(O)cc1.O=C(O)C=Cc1ccccc1

Sugarmoiety:
OCC1OC(OC2C(CO)OC(CO)(OC3OC(O)C(O)C(O)C3O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 20 RingCount: 5
HBD: 9 FractionCSP3: 0.5
AlogP: -2.77 Num_rotatable_bonds: 15
MolWt: 822.77 Num_heavy_atoms: 58
TPSA: 307.12 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
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
AD00362
Formula: C9H8O2

Smiles:
O=C(O)C=Cc1ccccc1
HBA: 2 RingCount: 1
HBD: 1 FractionCSP3: 0.0
AlogP: 1.78 Num_rotatable_bonds: 2
MolWt: 148.16 Num_heavy_atoms: 11
TPSA: 37.3 NumAromaticRings: 1

Sugarmoiety
SD07046

OCC1OC(OC2C(CO)OC(CO)(OC3OC(O)C(O)C(O)C3O)C2O)C(O)C(O)C1O