Glycoside
GD134086
Name:
3,4,5-trihydroxy-6-[(8-{[3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy}-4,4,6a,6b,8a,11,11,14b-octamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-yl)oxy]oxane-2-carboxylic acidFormula:
C46H66O11Smiles:
COc1cc(C=CC(=O)OC2CC3(C)C(=CCC4C5(C)CCC(OC6OC(C(=O)O)C(O)C(O)C6O)C(C)(C)C5CCC43C)C3CC(C)(C)CCC23C)ccc1OAglycone:
COc1cc(C=CC(=O)OC2CC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C3CC(C)(C)CCC23C)ccc1OSugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 7 |
| HBD: | 5 | FractionCSP3: | 0.74 |
| AlogP: | 7.03 | Num_rotatable_bonds: | 7 |
| MolWt: | 795.02 | Num_heavy_atoms: | 57 |
| TPSA: | 172.21 | NumAromaticRings: | 1 |
Unique Aglycone
AD54247
Formula: C40H58O5
Smiles:
COc1cc(C=CC(=O)OC2CC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C3CC(C)(C)CCC23C)ccc1O| HBA: | 5 | RingCount: | 6 |
| HBD: | 2 | FractionCSP3: | 0.72 |
| AlogP: | 9.12 | Num_rotatable_bonds: | 4 |
| MolWt: | 618.9 | Num_heavy_atoms: | 45 |
| TPSA: | 75.99 | NumAromaticRings: | 1 |
