Glycoside
GD156726
Name:
4-{10-hydroxy-9a,11a-dimethyl-7-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl}-2,5-dihydrofuran-2-oneFormula:
C29H44O8Smiles:
CC1OC(OC2CCC3(C)C(CCC4C5CCC(C6=CC(=O)OC6)C5(C)CC(O)C43)C2)C(O)C(O)C1OAglycone:
CC12CC(O)C3C(CCC4CC(O)CCC43C)C1CCC2C1=CC(=O)OC1Sugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.9 |
| AlogP: | 2.31 | Num_rotatable_bonds: | 3 |
| MolWt: | 520.66 | Num_heavy_atoms: | 37 |
| TPSA: | 125.68 | NumAromaticRings: | 0 |
Unique Aglycone
AD62030
Formula: C23H34O4
Smiles:
CC12CC(O)C3C(CCC4CC(O)CCC43C)C1CCC2C1=CC(=O)OC1| HBA: | 4 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.87 |
| AlogP: | 3.46 | Num_rotatable_bonds: | 1 |
| MolWt: | 374.52 | Num_heavy_atoms: | 27 |
| TPSA: | 66.76 | NumAromaticRings: | 0 |
