Glycoside
GD120395
Name:
16-{[4,5-dihydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}-9,13-dimethyl-7-methylidene-5-oxapentacyclo[10.8.0.0²,â¹.0â´,â¸.0¹³,¹â¸]icos-18-en-6-oneFormula:
C34H50O12Smiles:
C=C1C(=O)OC2CC3C4CC=C5CC(OC6OC(CO)C(O)C(O)C6OC6OC(C)C(O)C(O)C6O)CCC5(C)C4CCC3(C)C12Aglycone:
C=C1C(=O)OC2CC3C4CC=C5CC(O)CCC5(C)C4CCC3(C)C12Sugarmoiety:
CC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 7 |
| HBD: | 6 | FractionCSP3: | 0.85 |
| AlogP: | 0.69 | Num_rotatable_bonds: | 5 |
| MolWt: | 650.76 | Num_heavy_atoms: | 46 |
| TPSA: | 184.6 | NumAromaticRings: | 0 |
Unique Aglycone
AD48365
Formula: C22H30O3
Smiles:
C=C1C(=O)OC2CC3C4CC=C5CC(O)CCC5(C)C4CCC3(C)C12| HBA: | 3 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 0.77 |
| AlogP: | 4.02 | Num_rotatable_bonds: | 0 |
| MolWt: | 342.48 | Num_heavy_atoms: | 25 |
| TPSA: | 46.53 | NumAromaticRings: | 0 |
