Glycoside
GD136933
Name:
16'-[(3,4-dihydroxy-6-methyl-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)oxy]-5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,â¹.0â´,â¸.0¹³,¹â¸]icosan]-18'-en-10'-oneFormula:
C39H60O13Smiles:
CC1CCC2(OC1)OC1CC3C4CC=C5CC(OC6OC(C)C(OC7OC(CO)C(O)C(O)C7O)C(O)C6O)CCC5(C)C4CC(=O)C3(C)C1C2CAglycone:
CC1CCC2(OC1)OC1CC3C4CC=C5CC(O)CCC5(C)C4CC(=O)C3(C)C1C2CSugarmoiety:
CC1OC(O)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 8 |
| HBD: | 6 | FractionCSP3: | 0.92 |
| AlogP: | 1.57 | Num_rotatable_bonds: | 5 |
| MolWt: | 736.9 | Num_heavy_atoms: | 52 |
| TPSA: | 193.83 | NumAromaticRings: | 0 |
Unique Aglycone
AD07102
Formula: C27H40O4
Smiles:
CC1CCC2(OC1)OC1CC3C4CC=C5CC(O)CCC5(C)C4CC(=O)C3(C)C1C2C| HBA: | 4 | RingCount: | 6 |
| HBD: | 1 | FractionCSP3: | 0.89 |
| AlogP: | 4.89 | Num_rotatable_bonds: | 0 |
| MolWt: | 428.61 | Num_heavy_atoms: | 31 |
| TPSA: | 55.76 | NumAromaticRings: | 0 |
