Glycoside
GD143033
Name:
6-{[2-hydroxy-3a-(hydroxymethyl)-1-(2-hydroxypropan-2-yl)-5a,5b,8,8,11a-pentamethyl-icosahydro-1H-cyclopenta[a]chrysen-9-yl]oxy}-5-(2-hydroxyethoxy)-2-(hydroxymethyl)oxane-3,4-diolFormula:
C38H66O10Smiles:
CC(C)(O)C1C(O)CC2(CO)CCC3(C)C(CCC4C5(C)CCC(OC6OC(CO)C(O)C(O)C6OCCO)C(C)(C)C5CCC43C)C12Aglycone:
CC(C)(O)C1C(O)CC2(CO)CCC3(C)C(CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C12Sugarmoiety:
OCCOC1C(O)OC(CO)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 6 |
| HBD: | 7 | FractionCSP3: | 1.0 |
| AlogP: | 3.0 | Num_rotatable_bonds: | 8 |
| MolWt: | 682.94 | Num_heavy_atoms: | 48 |
| TPSA: | 169.3 | NumAromaticRings: | 0 |
Unique Aglycone
AD57540
Formula: C30H52O4
Smiles:
CC(C)(O)C1C(O)CC2(CO)CCC3(C)C(CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C12| HBA: | 4 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 1.0 |
| AlogP: | 5.16 | Num_rotatable_bonds: | 2 |
| MolWt: | 476.74 | Num_heavy_atoms: | 34 |
| TPSA: | 80.92 | NumAromaticRings: | 0 |
