Glycoside
GD130858
Name:
16'-{[4,5-dihydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}-5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,â¹.0â´,â¸.0¹³,¹â¸]icosan]-18'-en-20'-oneFormula:
C39H60O13Smiles:
CC1CCC2(OC1)OC1CC3C4C(=O)C=C5CC(OC6OC(CO)C(O)C(O)C6OC6OC(C)C(O)C(O)C6O)CCC5(C)C4CCC3(C)C1C2CAglycone:
CC1CCC2(OC1)OC1CC3C4C(=O)C=C5CC(O)CCC5(C)C4CCC3(C)C1C2CSugarmoiety:
CC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 8 |
| HBD: | 6 | FractionCSP3: | 0.92 |
| AlogP: | 1.57 | Num_rotatable_bonds: | 5 |
| MolWt: | 736.9 | Num_heavy_atoms: | 52 |
| TPSA: | 193.83 | NumAromaticRings: | 0 |
Unique Aglycone
AD46680
Formula: C27H40O4
Smiles:
CC1CCC2(OC1)OC1CC3C4C(=O)C=C5CC(O)CCC5(C)C4CCC3(C)C1C2C| HBA: | 4 | RingCount: | 6 |
| HBD: | 1 | FractionCSP3: | 0.89 |
| AlogP: | 4.89 | Num_rotatable_bonds: | 0 |
| MolWt: | 428.61 | Num_heavy_atoms: | 31 |
| TPSA: | 55.76 | NumAromaticRings: | 0 |
