Glycoside
GD148696
Name:
6-{3a,7,8-trihydroxy-9a,11a-dimethyl-5-oxo-1H,2H,3H,3aH,5H,5aH,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl}-6-hydroxy-2-methyl-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}heptan-2-yl acetateFormula:
C35H56O13Smiles:
CC(=O)OC(C)(C)CCC(OC1OC(CO)C(O)C(O)C1O)C(C)(O)C1CCC2(O)C3=CC(=O)C4CC(O)C(O)CC4(C)C3CCC12CAglycone:
CC(=O)OC(C)(C)CCC(O)C(C)(O)C1CCC2(O)C3=CC(=O)C4CC(O)C(O)CC4(C)C3CCC12CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.89 |
| AlogP: | 0.25 | Num_rotatable_bonds: | 9 |
| MolWt: | 684.82 | Num_heavy_atoms: | 48 |
| TPSA: | 223.67 | NumAromaticRings: | 0 |
Unique Aglycone
AD59489
Formula: C29H46O8
Smiles:
CC(=O)OC(C)(C)CCC(O)C(C)(O)C1CCC2(O)C3=CC(=O)C4CC(O)C(O)CC4(C)C3CCC12C| HBA: | 8 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.86 |
| AlogP: | 2.42 | Num_rotatable_bonds: | 6 |
| MolWt: | 522.68 | Num_heavy_atoms: | 37 |
| TPSA: | 144.52 | NumAromaticRings: | 0 |
