Glycoside
GD144731
Name:
2-(hydroxymethyl)-6-[(6-methyl-2-{7,8,11-trihydroxy-3a,6,6,9a,11a-pentamethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl}hept-5-en-2-yl)oxy]oxane-3,4,5-triolFormula:
C36H62O9Smiles:
CC(C)=CCCC(C)(OC1OC(CO)C(O)C(O)C1O)C1CCC2(C)C3CCC4C(C)(C)C(O)C(O)CC4(C)C3CC(O)C12CAglycone:
CC(C)=CCCC(C)(O)C1CCC2(C)C3CCC4C(C)(C)C(O)C(O)CC4(C)C3CC(O)C12CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.94 |
| AlogP: | 3.3 | Num_rotatable_bonds: | 7 |
| MolWt: | 638.88 | Num_heavy_atoms: | 45 |
| TPSA: | 160.07 | NumAromaticRings: | 0 |
Unique Aglycone
AD47856
Formula: C30H52O4
Smiles:
CC(C)=CCCC(C)(O)C1CCC2(C)C3CCC4C(C)(C)C(O)C(O)CC4(C)C3CC(O)C12C| HBA: | 4 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.93 |
| AlogP: | 5.47 | Num_rotatable_bonds: | 4 |
| MolWt: | 476.74 | Num_heavy_atoms: | 34 |
| TPSA: | 80.92 | NumAromaticRings: | 0 |
