Glycoside
GD137736
Name:
1-(5-{[(3,4-dihydroxy-5-methoxyoxan-2-yl)oxy]methyl}-6-methylheptan-2-yl)-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthrene-3,5,6,7-tetrolFormula:
C34H60O9Smiles:
COC1COC(OCC(CCC(C)C2CC(O)C3C4CC(O)C5C(O)C(O)CCC5(C)C4CCC23C)C(C)C)C(O)C1OAglycone:
CC(C)C(CO)CCC(C)C1CC(O)C2C3CC(O)C4C(O)C(O)CCC4(C)C3CCC12CSugarmoiety:
COC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 1.0 |
| AlogP: | 2.72 | Num_rotatable_bonds: | 9 |
| MolWt: | 612.85 | Num_heavy_atoms: | 43 |
| TPSA: | 149.07 | NumAromaticRings: | 0 |
Unique Aglycone
AD55629
Formula: C28H50O5
Smiles:
CC(C)C(CO)CCC(C)C1CC(O)C2C3CC(O)C4C(O)C(O)CCC4(C)C3CCC12C| HBA: | 5 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 1.0 |
| AlogP: | 3.6 | Num_rotatable_bonds: | 6 |
| MolWt: | 466.7 | Num_heavy_atoms: | 33 |
| TPSA: | 101.15 | NumAromaticRings: | 0 |
