Glycoside
GD149786
Name:
9a,11a-dimethyl-1-[(3,4,5-trihydroxy-6-{[(3,4,5-trihydroxyoxan-2-yl)oxy]methyl}oxan-2-yl)oxy]-1H,3aH,3bH,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-oneFormula:
C30H42O11Smiles:
CC12CCC(=O)C=C1C=CC1C2CCC2(C)C(OC3OC(COC4OCC(O)C(O)C4O)C(O)C(O)C3O)C=CC12Aglycone:
CC12CCC(=O)C=C1C=CC1C2CCC2(C)C(O)C=CC12Sugarmoiety:
OC1COC(OCC2OC(O)C(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.77 |
| AlogP: | -0.28 | Num_rotatable_bonds: | 5 |
| MolWt: | 578.66 | Num_heavy_atoms: | 41 |
| TPSA: | 175.37 | NumAromaticRings: | 0 |
Unique Aglycone
AD59879
Formula: C19H24O2
Smiles:
CC12CCC(=O)C=C1C=CC1C2CCC2(C)C(O)C=CC12| HBA: | 2 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.63 |
| AlogP: | 3.43 | Num_rotatable_bonds: | 0 |
| MolWt: | 284.4 | Num_heavy_atoms: | 21 |
| TPSA: | 37.3 | NumAromaticRings: | 0 |
