Glycoside
GD148152
Name:
4-({[3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-7-hydroxy-7-(hydroxymethyl)-6-{[3-(4-hydroxyphenyl)prop-2-enoyl]oxy}-1H,4aH,5H,6H,7H,7aH-cyclopenta[c]pyran-1-yl 3-methylbutanoateFormula:
C30H40O13Smiles:
CC(C)CC(=O)OC1OC=C(COC2OC(CO)CC(O)C2O)C2CC(OC(=O)C=Cc3ccc(O)cc3)C(O)(CO)C12Aglycone:
CC(C)CC(=O)OC1OC=C(CO)C2CC(OC(=O)C=Cc3ccc(O)cc3)C(O)(CO)C12Sugarmoiety:
OCC1CC(O)C(O)C(O)O1Other Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.6 |
| AlogP: | 0.35 | Num_rotatable_bonds: | 11 |
| MolWt: | 608.64 | Num_heavy_atoms: | 43 |
| TPSA: | 201.67 | NumAromaticRings: | 1 |
Unique Aglycone
AD12077
Formula: C24H30O9
Smiles:
CC(C)CC(=O)OC1OC=C(CO)C2CC(OC(=O)C=Cc3ccc(O)cc3)C(O)(CO)C12| HBA: | 9 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.5 |
| AlogP: | 1.5 | Num_rotatable_bonds: | 8 |
| MolWt: | 462.5 | Num_heavy_atoms: | 33 |
| TPSA: | 142.75 | NumAromaticRings: | 1 |
