Glycoside

GD119295
Name:
(6-{[4,5-dihydroxy-6-(hydroxymethyl)-2-[2-(4-hydroxyphenyl)-7-methoxy-4-oxo-5,6-dihydro-4H-chromen-6-yl]oxan-3-yl]oxy}-3,4,5-trihydroxyoxan-2-yl)methyl 3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoateFormula:
C39H44O18Smiles:
COC1=Cc2oc(-c3ccc(O)cc3)cc(=O)c2CC1C1OC(CO)C(O)C(O)C1OC1OC(COC(=O)C=Cc2cc(OC)c(O)c(OC)c2)C(O)C(O)C1OAglycone:
COC(=O)C=Cc1cc(OC)c(O)c(OC)c1.COC1=Cc2oc(-c3ccc(O)cc3)cc(=O)c2CC1Sugarmoiety:
OCC1OC(O)C(OC2OC(O)C(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
HBA: | 18 | RingCount: | 6 |
HBD: | 8 | FractionCSP3: | 0.44 |
AlogP: | -0.17 | Num_rotatable_bonds: | 12 |
MolWt: | 800.76 | Num_heavy_atoms: | 57 |
TPSA: | 273.73 | NumAromaticRings: | 3 |
Unique Aglycone
AD03982
Formula: C12H14O5
Smiles:
COC(=O)C=Cc1cc(OC)c(O)c(OC)c1HBA: | 5 | RingCount: | 1 |
HBD: | 1 | FractionCSP3: | 0.25 |
AlogP: | 1.6 | Num_rotatable_bonds: | 4 |
MolWt: | 238.24 | Num_heavy_atoms: | 17 |
TPSA: | 64.99 | NumAromaticRings: | 1 |
AD47765
Formula: C16H14O4
Smiles:
COC1=Cc2oc(-c3ccc(O)cc3)cc(=O)c2CC1HBA: | 4 | RingCount: | 3 |
HBD: | 1 | FractionCSP3: | 0.19 |
AlogP: | 2.95 | Num_rotatable_bonds: | 2 |
MolWt: | 270.28 | Num_heavy_atoms: | 20 |
TPSA: | 59.67 | NumAromaticRings: | 2 |