Glycoside

GD124108
Name:
(3,4,5-trihydroxy-6-{[3-(4-hydroxyphenyl)prop-2-enoyl]oxy}oxan-2-yl)methyl 3-(3,4-dihydroxyphenyl)prop-2-enoateFormula:
C24H24O11Smiles:
O=C(C=Cc1ccc(O)c(O)c1)OCC1OC(OC(=O)C=Cc2ccc(O)cc2)C(O)C(O)C1OAglycone:
COC(=O)C=Cc1ccc(O)c(O)c1.O=C(O)C=Cc1ccc(O)cc1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
HBA: | 11 | RingCount: | 3 |
HBD: | 6 | FractionCSP3: | 0.25 |
AlogP: | 0.42 | Num_rotatable_bonds: | 7 |
MolWt: | 488.45 | Num_heavy_atoms: | 35 |
TPSA: | 183.21 | NumAromaticRings: | 2 |
Unique Aglycone
AD00021
Formula: C9H8O3
Smiles:
O=C(O)C=Cc1ccc(O)cc1HBA: | 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 |
AD03431
Formula: C10H10O4
Smiles:
COC(=O)C=Cc1ccc(O)c(O)c1HBA: | 4 | RingCount: | 1 |
HBD: | 2 | FractionCSP3: | 0.1 |
AlogP: | 1.28 | Num_rotatable_bonds: | 2 |
MolWt: | 194.19 | Num_heavy_atoms: | 14 |
TPSA: | 66.76 | NumAromaticRings: | 1 |