Glycoside
GD153598
Name:
16'-{[3,4-dihydroxy-6-(hydroxymethyl)-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}-1',5,7',9',13'-pentamethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,â¹.0â´,â¸.0¹³,¹â¸]icosan]-18'-en-20'-oneFormula:
C40H62O13Smiles:
CC1CCC2(OC1)OC1CC3C(C)(CCC4C5(C)CCC(OC6OC(CO)C(OC7OC(C)C(O)C(O)C7O)C(O)C6O)CC5=CC(=O)C43C)C1C2CAglycone:
CC1CCC2(OC1)OC1CC3C(C)(CCC4C5(C)CCC(O)CC5=CC(=O)C43C)C1C2CSugarmoiety:
CC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 8 |
| HBD: | 6 | FractionCSP3: | 0.93 |
| AlogP: | 1.96 | Num_rotatable_bonds: | 5 |
| MolWt: | 750.92 | Num_heavy_atoms: | 53 |
| TPSA: | 193.83 | NumAromaticRings: | 0 |
Unique Aglycone
AD61069
Formula: C28H42O4
Smiles:
CC1CCC2(OC1)OC1CC3C(C)(CCC4C5(C)CCC(O)CC5=CC(=O)C43C)C1C2C| HBA: | 4 | RingCount: | 6 |
| HBD: | 1 | FractionCSP3: | 0.89 |
| AlogP: | 5.28 | Num_rotatable_bonds: | 0 |
| MolWt: | 442.64 | Num_heavy_atoms: | 32 |
| TPSA: | 55.76 | NumAromaticRings: | 0 |
