Glycoside
GD122443
Name:
4-[3a-hydroxy-9a-(hydroxymethyl)-11a-methyl-7-[(3,4,5,6-tetrahydroxyoxan-2-yl)oxy]-1H,2H,3H,3aH,5H,5aH,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl]-2,5-dihydrofuran-2-oneFormula:
C28H40O10Smiles:
CC12CCC3C(=CCC4CC(OC5OC(O)C(O)C(O)C5O)CCC43CO)C1(O)CCC2C1=CC(=O)OC1Aglycone:
CC12CCC3C(=CCC4CC(O)CCC43CO)C1(O)CCC2C1=CC(=O)OC1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.82 |
| AlogP: | 0.28 | Num_rotatable_bonds: | 4 |
| MolWt: | 536.62 | Num_heavy_atoms: | 38 |
| TPSA: | 166.14 | NumAromaticRings: | 0 |
Unique Aglycone
AD49335
Formula: C23H32O5
Smiles:
CC12CCC3C(=CCC4CC(O)CCC43CO)C1(O)CCC2C1=CC(=O)OC1| HBA: | 5 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.78 |
| AlogP: | 2.5 | Num_rotatable_bonds: | 2 |
| MolWt: | 388.5 | Num_heavy_atoms: | 28 |
| TPSA: | 86.99 | NumAromaticRings: | 0 |
