Glycoside
GD156609
Name:
2-[(4,5-dihydroxy-2-{5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,â¹.0â´,â¸.0¹³,¹â¸]icosane]-14',18'-dioloxy}oxan-3-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C38H62O14Smiles:
CC1CCC2(OC1)OC1CC3C4CCC5(O)CC(OC6OCC(O)C(O)C6OC6OC(CO)C(O)C(O)C6O)CC(O)C5(C)C4CCC3(C)C1C2CAglycone:
CC1CCC2(OC1)OC1CC3C4CCC5(O)CC(O)CC(O)C5(C)C4CCC3(C)C1C2CSugarmoiety:
OCC1OC(OC2C(O)OCC(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 8 |
| HBD: | 8 | FractionCSP3: | 1.0 |
| AlogP: | 0.17 | Num_rotatable_bonds: | 5 |
| MolWt: | 742.9 | Num_heavy_atoms: | 52 |
| TPSA: | 217.22 | NumAromaticRings: | 0 |
Unique Aglycone
AD47108
Formula: C27H44O5
Smiles:
CC1CCC2(OC1)OC1CC3C4CCC5(O)CC(O)CC(O)C5(C)C4CCC3(C)C1C2C| HBA: | 5 | RingCount: | 6 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | 3.88 | Num_rotatable_bonds: | 0 |
| MolWt: | 448.64 | Num_heavy_atoms: | 32 |
| TPSA: | 79.15 | NumAromaticRings: | 0 |
