Glycoside
GD147556
Name:
7-({5-[(4,5-dihydroxy-6-methyloxan-2-yl)oxy]-4-hydroxy-6-methyloxan-2-yl}oxy)-3a-hydroxy-9a,11a-dimethyl-1-(5-oxo-2,5-dihydrofuran-3-yl)-hexadecahydro-1H-cyclopenta[a]phenanthren-2-yl formateFormula:
C36H54O12Smiles:
CC1OC(OC2C(O)CC(OC3CCC4(C)C(CCC5C4CCC4(C)C(C6=CC(=O)OC6)C(OC=O)CC54O)C3)OC2C)CC(O)C1OAglycone:
CC12CCC(O)CC1CCC1C2CCC2(C)C(C3=CC(=O)OC3)C(OC=O)CC12OSugarmoiety:
CC1OC(OC2C(O)CC(O)OC2C)CC(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 7 |
| HBD: | 4 | FractionCSP3: | 0.89 |
| AlogP: | 2.52 | Num_rotatable_bonds: | 7 |
| MolWt: | 678.82 | Num_heavy_atoms: | 48 |
| TPSA: | 170.44 | 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 |
