Glycoside
GD126645
Name:
7-{5a,5b,8,8,11a,13b-hexamethyl-1H,2H,3H,3aH,4H,5H,5aH,5bH,7aH,8H,9H,10H,11H,11aH,11bH,13aH,13bH-cyclopenta[a]chrysen-3-yl}octane-1,2,3,4-tetrolFormula:
C35H58O4Smiles:
CC(CCC(O)C(O)C(O)CO)C1CCC2(C)C1CCC1(C)C2C=CC2C3(C)CCCC(C)(C)C3C=CC21CAglycone:
CCC(C)C1CCC2(C)C1CCC1(C)C2C=CC2C3(C)CCCC(C)(C)C3C=CC21CSugarmoiety:
OCC(O)C(O)C(O)OOther Identifiers
Properties
| HBA: | 4 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.89 |
| AlogP: | 6.52 | Num_rotatable_bonds: | 7 |
| MolWt: | 542.85 | Num_heavy_atoms: | 39 |
| TPSA: | 80.92 | NumAromaticRings: | 0 |
Unique Aglycone
AD51261
Formula: C31H50
Smiles:
CCC(C)C1CCC2(C)C1CCC1(C)C2C=CC2C3(C)CCCC(C)(C)C3C=CC21C| HBA: | 0 | RingCount: | 5 |
| HBD: | 0 | FractionCSP3: | 0.87 |
| AlogP: | 9.08 | Num_rotatable_bonds: | 2 |
| MolWt: | 422.74 | Num_heavy_atoms: | 31 |
| TPSA: | 0.0 | NumAromaticRings: | 0 |
