Glycoside
GD114536
Name:
6-({6-[(6-{[3a-hydroxy-9a,11a-dimethyl-1-(5-oxo-2,5-dihydrofuran-3-yl)-hexadecahydro-1H-cyclopenta[a]phenanthren-7-yl]oxy}-4-hydroxy-2-methyloxan-3-yl)oxy]-4-hydroxy-2-methyloxan-3-yl}oxy)-4-hydroxy-2-methyloxan-3-yl acetateFormula:
C43H66O14Smiles:
CC(=O)OC1C(O)CC(OC2C(O)CC(OC3C(O)CC(OC4CCC5(C)C(CCC6C5CCC5(C)C(C7=CC(=O)OC7)CCC65O)C4)OC3C)OC2C)OC1CAglycone:
CC12CCC(O)CC1CCC1C2CCC2(C)C(C3=CC(=O)OC3)CCC12OSugarmoiety:
CC(=O)OC1C(O)CC(OC2C(O)CC(OC3C(O)CC(O)OC3C)OC2C)OC1COther Identifiers
Properties
| HBA: | 14 | RingCount: | 8 |
| HBD: | 4 | FractionCSP3: | 0.91 |
| AlogP: | 3.82 | Num_rotatable_bonds: | 8 |
| MolWt: | 806.99 | Num_heavy_atoms: | 57 |
| TPSA: | 188.9 | NumAromaticRings: | 0 |
Unique Aglycone
AD01378
Formula: C23H34O4
Smiles:
CC12CCC(O)CC1CCC1C2CCC2(C)C(C3=CC(=O)OC3)CCC12O| HBA: | 4 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.87 |
| AlogP: | 3.6 | Num_rotatable_bonds: | 1 |
| MolWt: | 374.52 | Num_heavy_atoms: | 27 |
| TPSA: | 66.76 | NumAromaticRings: | 0 |
