Glycoside
GD118119
Name:
9-{[3,4-dihydroxy-6-(hydroxymethyl)-5-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl]oxy}-3-(2-hydroxypropan-2-yl)-5a,5b,8,8,11a,13b-hexamethyl-icosahydro-1H-cyclopenta[a]chrysen-7-oneFormula:
C41H68O12Smiles:
CC(C)(O)C1CCC2(C)C1CCC1(C)C2CCC2C3(C)CCC(OC4OC(CO)C(OC5OCC(O)C(O)C5O)C(O)C4O)C(C)(C)C3C(=O)CC21CAglycone:
CC(C)(O)C1CCC2(C)C1CCC1(C)C2CCC2C3(C)CCC(O)C(C)(C)C3C(=O)CC21CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OC1OCC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 7 |
| HBD: | 7 | FractionCSP3: | 0.98 |
| AlogP: | 2.69 | Num_rotatable_bonds: | 6 |
| MolWt: | 752.98 | Num_heavy_atoms: | 53 |
| TPSA: | 195.6 | NumAromaticRings: | 0 |
Unique Aglycone
AD47197
Formula: C30H50O3
Smiles:
CC(C)(O)C1CCC2(C)C1CCC1(C)C2CCC2C3(C)CCC(O)C(C)(C)C3C(=O)CC21C| HBA: | 3 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.97 |
| AlogP: | 6.4 | Num_rotatable_bonds: | 1 |
| MolWt: | 458.73 | Num_heavy_atoms: | 33 |
| TPSA: | 57.53 | NumAromaticRings: | 0 |
