Glycoside
GD135144
Name:
2-({[4,5-dihydroxy-6-(hydroxymethyl)-2-{5,7',9',13',18'-pentamethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,â¹.0â´,â¸.0¹³,¹â¸]icosane]oxy}oxan-3-yl]oxy}methyl)-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C41H68O13Smiles:
CC1CCC2(OC1)OC1CC3C4CCC5(C)CC(OC6OC(CO)C(O)C(O)C6OCC6OC(CO)C(O)C(O)C6O)CCC5(C)C4CCC3(C)C1C2CAglycone:
CC1CCC2(OC1)OC1CC3C4CCC5(C)CC(O)CCC5(C)C4CCC3(C)C1C2CSugarmoiety:
OCC1OC(COC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 8 |
| HBD: | 7 | FractionCSP3: | 1.0 |
| AlogP: | 1.87 | Num_rotatable_bonds: | 7 |
| MolWt: | 768.98 | Num_heavy_atoms: | 54 |
| TPSA: | 196.99 | 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 |
