Glycoside
GD156236
Name:
5-hydroxy-1-(2-hydroxy-6-methyl-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}hept-5-en-2-yl)-3a,3b,6,6,9a-pentamethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-7-oneFormula:
C36H60O9Smiles:
CC(=CCCC(C)(O)C1CCC2(C)C1CCC1C3(C)CCC(=O)C(C)(C)C3C(O)CC12C)COC1OC(CO)C(O)C(O)C1OAglycone:
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: | 6 | FractionCSP3: | 0.92 |
| AlogP: | 3.51 | Num_rotatable_bonds: | 8 |
| MolWt: | 636.87 | Num_heavy_atoms: | 45 |
| TPSA: | 156.91 | NumAromaticRings: | 0 |
Unique Aglycone
AD60484
Formula: C30H50O4
Smiles:
CC(=CCCC(C)(O)C1CCC2(C)C1CCC1C3(C)CCC(=O)C(C)(C)C3C(O)CC12C)CO| HBA: | 4 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.9 |
| AlogP: | 5.68 | Num_rotatable_bonds: | 5 |
| MolWt: | 474.73 | Num_heavy_atoms: | 34 |
| TPSA: | 77.76 | NumAromaticRings: | 0 |
