Glycoside
GD120642
Name:
4-[7-({5-[(3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl)oxy]-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl}oxy)-3a,9-dihydroxy-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]-2,5-dihydrofuran-2-oneFormula:
C36H56O14Smiles:
COC1C(O)C(C)OC(OC2C(CO)OC(OC3CC(O)C4(C)C(CCC5C4CCC4(C)C(C6=CC(=O)OC6)CCC54O)C3)C(O)C2O)C1OAglycone:
CC12C(O)CC(O)CC1CCC1C2CCC2(C)C(C3=CC(=O)OC3)CCC12OSugarmoiety:
COC1C(O)C(C)OC(OC2C(CO)OC(O)C(O)C2O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 7 |
| HBD: | 7 | FractionCSP3: | 0.92 |
| AlogP: | -0.09 | Num_rotatable_bonds: | 7 |
| MolWt: | 712.83 | Num_heavy_atoms: | 50 |
| TPSA: | 214.06 | NumAromaticRings: | 0 |
Unique Aglycone
AD09747
Formula: C23H34O5
Smiles:
CC12C(O)CC(O)CC1CCC1C2CCC2(C)C(C3=CC(=O)OC3)CCC12O| HBA: | 5 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.87 |
| AlogP: | 2.58 | Num_rotatable_bonds: | 1 |
| MolWt: | 390.52 | Num_heavy_atoms: | 28 |
| TPSA: | 86.99 | NumAromaticRings: | 0 |
