Glycoside
GD120980
Name:
2-{[5-hydroxy-6-(hydroxymethyl)-4-methyl-2-{5,7',9',12',13'-pentamethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,â¹.0â´,â¸.0¹³,¹â¸]icosane]oxy}oxan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C41H68O12Smiles:
CC1CCC2(OC1)OC1CC3C4CCC5CC(OC6OC(CO)C(O)C(C)C6OC6OC(CO)C(O)C(O)C6O)CCC5(C)C4(C)CCC3(C)C1C2CAglycone:
CC1CCC2(OC1)OC1CC3C4CCC5CC(O)CCC5(C)C4(C)CCC3(C)C1C2CSugarmoiety:
CC1C(O)C(CO)OC(O)C1OC1OC(CO)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 8 |
| HBD: | 6 | FractionCSP3: | 1.0 |
| AlogP: | 3.11 | Num_rotatable_bonds: | 6 |
| MolWt: | 752.98 | Num_heavy_atoms: | 53 |
| TPSA: | 176.76 | NumAromaticRings: | 0 |
Unique Aglycone
AD48653
Formula: C28H46O3
Smiles:
CC1CCC2(OC1)OC1CC3C4CCC5CC(O)CCC5(C)C4(C)CCC3(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 |
