Glycoside
GD149511
Name:
6-{[5-carboxy-6-(methoxymethyl)-1,2,8,8,19,19,24-heptamethylhexacyclo[14.6.2.0²,¹¹.0âµ,¹â°.0¹³,²³.0²â°,²â´]tetracos-11-en-18-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acidFormula:
C40H62O10Smiles:
COCC1CC(C)(C)CC2C3=CC4CCC5CC(OC6OC(C(=O)O)C(O)C(O)C6O)C(C)(C)C6CCC(C)(C4C56C)C3(C)CCC12C(=O)OAglycone:
COCC1CC(C)(C)CC2C3=CC4CCC5CC(O)C(C)(C)C6CCC(C)(C4C56C)C3(C)CCC12C(=O)OSugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 7 |
| HBD: | 5 | FractionCSP3: | 0.9 |
| AlogP: | 5.27 | Num_rotatable_bonds: | 6 |
| MolWt: | 702.93 | Num_heavy_atoms: | 50 |
| TPSA: | 162.98 | NumAromaticRings: | 0 |
Unique Aglycone
AD59777
Formula: C34H54O4
Smiles:
COCC1CC(C)(C)CC2C3=CC4CCC5CC(O)C(C)(C)C6CCC(C)(C4C56C)C3(C)CCC12C(=O)O| HBA: | 4 | RingCount: | 6 |
| HBD: | 2 | FractionCSP3: | 0.91 |
| AlogP: | 7.35 | Num_rotatable_bonds: | 3 |
| MolWt: | 526.8 | Num_heavy_atoms: | 38 |
| TPSA: | 66.76 | NumAromaticRings: | 0 |
