Glycoside
GD153487
Name:
3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl 1-acetyl-9-hydroxy-5a,5b,8,8,11a-pentamethyl-icosahydro-1H-cyclopenta[a]chrysene-3a-carboxylateFormula:
C35H56O9Smiles:
CC(=O)C1CCC2(C(=O)OC3OC(CO)C(O)C(O)C3O)CCC3(C)C(CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C12Aglycone:
CC(=O)C1CCC2(C(=O)O)CCC3(C)C(CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 0.94 |
| AlogP: | 3.36 | Num_rotatable_bonds: | 4 |
| MolWt: | 620.82 | Num_heavy_atoms: | 44 |
| TPSA: | 153.75 | NumAromaticRings: | 0 |
Unique Aglycone
AD61044
Formula: C29H46O4
Smiles:
CC(=O)C1CCC2(C(=O)O)CCC3(C)C(CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C12| HBA: | 4 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.93 |
| AlogP: | 6.1 | Num_rotatable_bonds: | 2 |
| MolWt: | 458.68 | Num_heavy_atoms: | 33 |
| TPSA: | 74.6 | NumAromaticRings: | 0 |
