Glycoside
GD154832
Name:
7-(hydroxymethyl)-6-{[3-(4-hydroxyphenyl)prop-2-enoyl]oxy}-4-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-1H,4aH,5H,6H,7H,7aH-cyclopenta[c]pyran-1-yl 3-methylbutanoateFormula:
C30H40O13Smiles:
CC(C)CC(=O)OC1OC=C(COC2OC(CO)C(O)C(O)C2O)C2CC(OC(=O)C=Cc3ccc(O)cc3)C(CO)C12Aglycone:
CC(C)CC(=O)OC1OC=C(CO)C2CC(OC(=O)C=Cc3ccc(O)cc3)C(CO)C12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.6 |
| AlogP: | 0.21 | Num_rotatable_bonds: | 11 |
| MolWt: | 608.64 | Num_heavy_atoms: | 43 |
| TPSA: | 201.67 | NumAromaticRings: | 1 |
Unique Aglycone
AD61463
Formula: C24H30O8
Smiles:
CC(C)CC(=O)OC1OC=C(CO)C2CC(OC(=O)C=Cc3ccc(O)cc3)C(CO)C12| HBA: | 8 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.5 |
| AlogP: | 2.38 | Num_rotatable_bonds: | 8 |
| MolWt: | 446.5 | Num_heavy_atoms: | 32 |
| TPSA: | 122.52 | NumAromaticRings: | 1 |
