Glycoside
GD118859
Name:
6-(1-{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:
C34H52O9Smiles:
CC1=C(COC2OC(CO)C(O)C(O)C2O)C(=O)OC(C(C)C2CCC3C4CCC5CCCC(=O)C5(C)C4CCC23C)C1Aglycone:
CC1=C(CO)C(=O)OC(C(C)C2CCC3C4CCC5CCCC(=O)C5(C)C4CCC23C)C1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.88 |
| AlogP: | 3.3 | Num_rotatable_bonds: | 6 |
| MolWt: | 604.78 | Num_heavy_atoms: | 43 |
| TPSA: | 142.75 | NumAromaticRings: | 0 |
Unique Aglycone
AD47562
Formula: C28H42O4
Smiles:
CC1=C(CO)C(=O)OC(C(C)C2CCC3C4CCC5CCCC(=O)C5(C)C4CCC23C)C1| HBA: | 4 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 0.86 |
| AlogP: | 5.47 | Num_rotatable_bonds: | 3 |
| MolWt: | 442.64 | Num_heavy_atoms: | 32 |
| TPSA: | 63.6 | NumAromaticRings: | 0 |
