Glycoside
GD129817
Name:
3a-hydroxy-7-[(4-hydroxy-6-methyl-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)oxy]-9a,11a-dimethyl-1-(5-oxo-2,5-dihydrofuran-3-yl)-hexadecahydro-1H-cyclopenta[a]phenanthren-2-yl formateFormula:
C36H54O14Smiles:
CC1OC(OC2CCC3(C)C(CCC4C3CCC3(C)C(C5=CC(=O)OC5)C(OC=O)CC43O)C2)CC(O)C1OC1OC(CO)C(O)C(O)C1OAglycone:
CC12CCC(O)CC1CCC1C2CCC2(C)C(C3=CC(=O)OC3)C(OC=O)CC12OSugarmoiety:
CC1OC(O)CC(O)C1OC1OC(CO)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 7 |
| HBD: | 6 | FractionCSP3: | 0.89 |
| AlogP: | 0.46 | Num_rotatable_bonds: | 8 |
| MolWt: | 710.81 | Num_heavy_atoms: | 50 |
| TPSA: | 210.9 | NumAromaticRings: | 0 |
Unique Aglycone
AD04703
Formula: C24H34O6
Smiles:
CC12CCC(O)CC1CCC1C2CCC2(C)C(C3=CC(=O)OC3)C(OC=O)CC12O| HBA: | 6 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.83 |
| AlogP: | 2.76 | Num_rotatable_bonds: | 3 |
| MolWt: | 418.53 | Num_heavy_atoms: | 30 |
| TPSA: | 93.06 | NumAromaticRings: | 0 |
