Glycoside
GD148980
Name:
2-[(2-{[3,5-dihydroxy-2-(hydroxymethyl)-6-{5,7',9',13',18'-pentamethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,â¹.0â´,â¸.0¹³,¹â¸]icosane]oxy}oxan-4-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl)oxy]-6-methyloxane-3,4,5-triolFormula:
C46H76O17Smiles:
CC1CCC2(OC1)OC1CC3C4CCC5(C)CC(OC6OC(CO)C(O)C(OC7OC(CO)C(O)C(O)C7OC7OC(C)C(O)C(O)C7O)C6O)CCC5(C)C4CCC3(C)C1C2CAglycone:
CC1CCC2(OC1)OC1CC3C4CCC5(C)CC(O)CCC5(C)C4CCC3(C)C1C2CSugarmoiety:
CC1OC(OC2C(OC3C(O)C(O)OC(CO)C3O)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 9 |
| HBD: | 9 | FractionCSP3: | 1.0 |
| AlogP: | 0.68 | Num_rotatable_bonds: | 8 |
| MolWt: | 901.1 | Num_heavy_atoms: | 63 |
| TPSA: | 255.91 | NumAromaticRings: | 0 |
Unique Aglycone
AD52484
Formula: C28H46O3
Smiles:
CC1CCC2(OC1)OC1CC3C4CCC5(C)CC(O)CCC5(C)C4CCC3(C)C1C2C| HBA: | 3 | RingCount: | 6 |
| HBD: | 1 | FractionCSP3: | 1.0 |
| AlogP: | 6.18 | Num_rotatable_bonds: | 0 |
| MolWt: | 430.67 | Num_heavy_atoms: | 31 |
| TPSA: | 38.69 | NumAromaticRings: | 0 |
