Glycoside
GD151978
Name:
7-{5a,5b,8,8,9,11a,13b-heptamethyl-1H,2H,3H,3aH,4H,5H,5aH,5bH,6H,7H,7aH,8H,9H,10H,11H,11aH,11bH,13aH,13bH-cyclopenta[a]chrysen-3-yl}octane-1,2,3,4-tetrolFormula:
C36H62O4Smiles:
CC(CCC(O)C(O)C(O)CO)C1CCC2(C)C1CCC1(C)C2C=CC2C3(C)CCC(C)C(C)(C)C3CCC21CAglycone:
CCC(C)C1CCC2(C)C1CCC1(C)C2C=CC2C3(C)CCC(C)C(C)(C)C3CCC21CSugarmoiety:
OCC(O)C(O)C(O)OOther Identifiers
Properties
| HBA: | 4 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.94 |
| AlogP: | 6.99 | Num_rotatable_bonds: | 7 |
| MolWt: | 558.89 | Num_heavy_atoms: | 40 |
| TPSA: | 80.92 | NumAromaticRings: | 0 |
Unique Aglycone
AD58203
Formula: C32H54
Smiles:
CCC(C)C1CCC2(C)C1CCC1(C)C2C=CC2C3(C)CCC(C)C(C)(C)C3CCC21C| HBA: | 0 | RingCount: | 5 |
| HBD: | 0 | FractionCSP3: | 0.94 |
| AlogP: | 9.55 | Num_rotatable_bonds: | 2 |
| MolWt: | 438.78 | Num_heavy_atoms: | 32 |
| TPSA: | 0.0 | NumAromaticRings: | 0 |
