Glycoside
GD129809
Name:
6-(3,7-dihydroxy-9a,11a-dimethyl-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl)-2-methylheptyl acetateFormula:
C35H58O10Smiles:
CC(=O)OCC(C)CCCC(C)C1CC(O)C2C3C(OC4OC(CO)C(O)C(O)C4O)C=C4CC(O)CCC4(C)C3CCC12CAglycone:
CC(=O)OCC(C)CCCC(C)C1CC(O)C2C3C(O)C=C4CC(O)CCC4(C)C3CCC12CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.91 |
| AlogP: | 2.7 | Num_rotatable_bonds: | 10 |
| MolWt: | 638.84 | Num_heavy_atoms: | 45 |
| TPSA: | 166.14 | NumAromaticRings: | 0 |
Unique Aglycone
AD52589
Formula: C29H48O5
Smiles:
CC(=O)OCC(C)CCCC(C)C1CC(O)C2C3C(O)C=C4CC(O)CCC4(C)C3CCC12C| HBA: | 5 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.9 |
| AlogP: | 4.87 | Num_rotatable_bonds: | 7 |
| MolWt: | 476.7 | Num_heavy_atoms: | 34 |
| TPSA: | 86.99 | NumAromaticRings: | 0 |
