Glycoside
GD152301
Name:
6-(1-{4-methoxy-9a,11a-dimethyl-9-oxo-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl}ethyl)-4-methyl-3-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-5,6-dihydro-2H-pyran-2-oneFormula:
C35H54O10Smiles:
COC1CC2CCCC(=O)C2(C)C2CCC3(C)C(C(C)C4CC(C)=C(COC5OC(CO)C(O)C(O)C5O)C(=O)O4)CCC3C12Aglycone:
COC1CC2CCCC(=O)C2(C)C2CCC3(C)C(C(C)C4CC(C)=C(CO)C(=O)O4)CCC3C12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.89 |
| AlogP: | 2.92 | Num_rotatable_bonds: | 7 |
| MolWt: | 634.81 | Num_heavy_atoms: | 45 |
| TPSA: | 151.98 | NumAromaticRings: | 0 |
Unique Aglycone
AD60655
Formula: C29H44O5
Smiles:
COC1CC2CCCC(=O)C2(C)C2CCC3(C)C(C(C)C4CC(C)=C(CO)C(=O)O4)CCC3C12| HBA: | 5 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 0.86 |
| AlogP: | 5.1 | Num_rotatable_bonds: | 4 |
| MolWt: | 472.67 | Num_heavy_atoms: | 34 |
| TPSA: | 72.83 | NumAromaticRings: | 0 |
