Glycoside
GD115153
Name:
3-(2-hydroxypropan-2-yl)-5a,5b,8,8,11a,13b-hexamethyl-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-9-[(3,4,5-trihydroxyoxan-2-yl)oxy]-icosahydro-1H-cyclopenta[a]chrysen-7-oneFormula:
C41H68O13Smiles:
CC(C)(O)C1CCC2(C)C1CC(OC1OC(CO)C(O)C(O)C1O)C1(C)C2CCC2C3(C)CCC(OC4OCC(O)C(O)C4O)C(C)(C)C3C(=O)CC21CAglycone:
CC(C)(O)C1CCC2(C)C1CC(O)C1(C)C2CCC2C3(C)CCC(O)C(C)(C)C3C(=O)CC21CSugarmoiety:
OC1COC(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 7 |
| HBD: | 8 | FractionCSP3: | 0.98 |
| AlogP: | 1.66 | Num_rotatable_bonds: | 6 |
| MolWt: | 768.98 | Num_heavy_atoms: | 54 |
| TPSA: | 215.83 | NumAromaticRings: | 0 |
Unique Aglycone
AD45499
Formula: C30H50O4
Smiles:
CC(C)(O)C1CCC2(C)C1CC(O)C1(C)C2CCC2C3(C)CCC(O)C(C)(C)C3C(=O)CC21C| HBA: | 4 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.97 |
| AlogP: | 5.37 | Num_rotatable_bonds: | 1 |
| MolWt: | 474.73 | Num_heavy_atoms: | 34 |
| TPSA: | 77.76 | NumAromaticRings: | 0 |
