Glycoside
GD132871
Name:
2-[(2-{5,7-dihydroxy-3a,3b,6,6,9a-pentamethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl}-7-hydroxy-6-methylhept-5-en-2-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C36H62O9Smiles:
CC(=CCCC(C)(OC1OC(CO)C(O)C(O)C1O)C1CCC2(C)C1CCC1C3(C)CCC(O)C(C)(C)C3C(O)CC12C)COAglycone:
CC(=CCCC(C)(O)C1CCC2(C)C1CCC1C3(C)CCC(O)C(C)(C)C3C(O)CC12C)COSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.94 |
| AlogP: | 3.3 | Num_rotatable_bonds: | 8 |
| MolWt: | 638.88 | Num_heavy_atoms: | 45 |
| TPSA: | 160.07 | NumAromaticRings: | 0 |
Unique Aglycone
AD46056
Formula: C30H52O4
Smiles:
CC(=CCCC(C)(O)C1CCC2(C)C1CCC1C3(C)CCC(O)C(C)(C)C3C(O)CC12C)CO| HBA: | 4 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.93 |
| AlogP: | 5.47 | Num_rotatable_bonds: | 5 |
| MolWt: | 476.74 | Num_heavy_atoms: | 34 |
| TPSA: | 80.92 | NumAromaticRings: | 0 |
