Glycoside
GD144677
Name:
1-{4,13-dihydroxy-3,5a,5b,8,8,11a,13b-heptamethyl-9-[(3,4,5-trihydroxyoxan-2-yl)oxy]-icosahydro-1H-cyclopenta[a]chrysen-3-yl}ethan-1-oneFormula:
C35H58O8Smiles:
CC(=O)C1(C)CCC2(C)C1C(O)CC1(C)C2C(O)CC2C3(C)CCC(OC4OCC(O)C(O)C4O)C(C)(C)C3CCC21CAglycone:
CC(=O)C1(C)CCC2(C)C1C(O)CC1(C)C2C(O)CC2C3(C)CCC(O)C(C)(C)C3CCC21CSugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 0.97 |
| AlogP: | 3.83 | Num_rotatable_bonds: | 3 |
| MolWt: | 606.84 | Num_heavy_atoms: | 43 |
| TPSA: | 136.68 | NumAromaticRings: | 0 |
Unique Aglycone
AD52592
Formula: C30H50O4
Smiles:
CC(=O)C1(C)CCC2(C)C1C(O)CC1(C)C2C(O)CC2C3(C)CCC(O)C(C)(C)C3CCC21C| 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 |
