Glycoside
GD144749
Name:
2-(hydroxymethyl)-6-[(6-methyl-2-{4,7,11-trihydroxy-3b,6,6,9a-tetramethyl-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl}hept-5-en-2-yl)oxy]oxane-3,4,5-triolFormula:
C35H58O9Smiles:
CC(C)=CCCC(C)(OC1OC(CO)C(O)C(O)C1O)C1CCC2C1C(O)CC1C3(C)CCC(O)C(C)(C)C3=CC(O)C21CAglycone:
CC(C)=CCCC(C)(O)C1CCC2C1C(O)CC1C3(C)CCC(O)C(C)(C)C3=CC(O)C21CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.89 |
| AlogP: | 2.83 | Num_rotatable_bonds: | 7 |
| MolWt: | 622.84 | Num_heavy_atoms: | 44 |
| TPSA: | 160.07 | NumAromaticRings: | 0 |
Unique Aglycone
AD58143
Formula: C29H48O4
Smiles:
CC(C)=CCCC(C)(O)C1CCC2C1C(O)CC1C3(C)CCC(O)C(C)(C)C3=CC(O)C21C| HBA: | 4 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.86 |
| AlogP: | 5.0 | Num_rotatable_bonds: | 4 |
| MolWt: | 460.7 | Num_heavy_atoms: | 33 |
| TPSA: | 80.92 | NumAromaticRings: | 0 |
