Glycoside

GD125541
Name:
3,4-dihydroxy-5-(hydroxymethyl)-2-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]cyclohexyl 3-methoxy-3,5'-dimethyl-4'-[(3-phenylprop-2-enoyl)oxy]-hexahydro-3H-spiro[1-benzofuran-2,2'-oxane]-6-carboxylateFormula:
C38H54O15Smiles:
COC1(C)C2CCC(C(=O)OC3CC(CO)C(O)C(O)C3OC3OC(C)C(O)C(O)C3O)CC2OC12CC(OC(=O)C=Cc1ccccc1)C(C)CO2Aglycone:
COC1(C)C2CCC(C(=O)OC3CC(CO)C(O)C(O)C3O)CC2OC12CC(OC(=O)C=Cc1ccccc1)C(C)CO2Sugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
HBA: | 15 | RingCount: | 6 |
HBD: | 6 | FractionCSP3: | 0.74 |
AlogP: | 0.44 | Num_rotatable_bonds: | 9 |
MolWt: | 750.84 | Num_heavy_atoms: | 53 |
TPSA: | 220.13 | NumAromaticRings: | 1 |
Unique Aglycone
AD50773
Formula: C32H44O11
Smiles:
COC1(C)C2CCC(C(=O)OC3CC(CO)C(O)C(O)C3O)CC2OC12CC(OC(=O)C=Cc1ccccc1)C(C)CO2HBA: | 11 | RingCount: | 5 |
HBD: | 4 | FractionCSP3: | 0.69 |
AlogP: | 1.59 | Num_rotatable_bonds: | 7 |
MolWt: | 604.69 | Num_heavy_atoms: | 43 |
TPSA: | 161.21 | NumAromaticRings: | 1 |