Glycoside
GD130993
Name:
1-(3,6-dihydroxy-6-methylheptan-2-yl)-3a-hydroxy-9a,11a-dimethyl-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,2H,3H,3aH,5H,5aH,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-5-oneFormula:
C33H54O10Smiles:
CC(C(O)CCC(C)(C)O)C1CCC2(O)C3=CC(=O)C4CC(OC5OC(CO)C(O)C(O)C5O)CCC4(C)C3CCC12CAglycone:
CC(C(O)CCC(C)(C)O)C1CCC2(O)C3=CC(=O)C4CC(O)CCC4(C)C3CCC12CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.91 |
| AlogP: | 1.59 | Num_rotatable_bonds: | 8 |
| MolWt: | 610.78 | Num_heavy_atoms: | 43 |
| TPSA: | 177.14 | NumAromaticRings: | 0 |
Unique Aglycone
AD53085
Formula: C27H44O5
Smiles:
CC(C(O)CCC(C)(C)O)C1CCC2(O)C3=CC(=O)C4CC(O)CCC4(C)C3CCC12C| HBA: | 5 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.89 |
| AlogP: | 3.77 | Num_rotatable_bonds: | 5 |
| MolWt: | 448.64 | Num_heavy_atoms: | 32 |
| TPSA: | 97.99 | NumAromaticRings: | 0 |
