Glycoside
GD154531
Name:
7-({5-[(3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl)oxy]-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl}oxy)-3a-hydroxy-9a,11a-dimethyl-1-(5-oxo-2,5-dihydrofuran-3-yl)-hexadecahydro-1H-cyclopenta[a]phenanthren-9-yl acetateFormula:
C38H58O15Smiles:
COC1C(O)C(C)OC(OC2C(CO)OC(OC3CC4CCC5C(CCC6(C)C(C7=CC(=O)OC7)CCC56O)C4(C)C(OC(C)=O)C3)C(O)C2O)C1OAglycone:
CC(=O)OC1CC(O)CC2CCC3C(CCC4(C)C(C5=CC(=O)OC5)CCC34O)C21CSugarmoiety:
COC1C(O)C(C)OC(OC2C(CO)OC(O)C(O)C2O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 7 |
| HBD: | 6 | FractionCSP3: | 0.89 |
| AlogP: | 0.48 | Num_rotatable_bonds: | 8 |
| MolWt: | 754.87 | Num_heavy_atoms: | 53 |
| TPSA: | 220.13 | NumAromaticRings: | 0 |
Unique Aglycone
AD12465
Formula: C25H36O6
Smiles:
CC(=O)OC1CC(O)CC2CCC3C(CCC4(C)C(C5=CC(=O)OC5)CCC34O)C21C| HBA: | 6 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.84 |
| AlogP: | 3.15 | Num_rotatable_bonds: | 2 |
| MolWt: | 432.56 | Num_heavy_atoms: | 31 |
| TPSA: | 93.06 | NumAromaticRings: | 0 |
