Glycoside
GD136640
Name:
2-{16'-[(3,4-dihydroxy-4-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}oxolan-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'-eneoxy}-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C44H70O17Smiles:
CC1CCC2(OC1)OC1CC3C4CC=C5CC(OC6OCC(O)(COC7OC(C)C(O)C(O)C7O)C6O)CCC5(C)C4CC(OC4OC(CO)C(O)C(O)C4O)C3(C)C1C2CAglycone:
CC1CCC2(OC1)OC1CC3C4CC=C5CC(O)CCC5(C)C4CC(O)C3(C)C1C2CSugarmoiety:
CC1OC(OCC2(O)COC(O)C2O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 9 |
| HBD: | 9 | FractionCSP3: | 0.95 |
| AlogP: | -0.17 | Num_rotatable_bonds: | 8 |
| MolWt: | 871.03 | Num_heavy_atoms: | 61 |
| TPSA: | 255.91 | NumAromaticRings: | 0 |
Unique Aglycone
AD51406
Formula: C27H42O4
Smiles:
CC1CCC2(OC1)OC1CC3C4CC=C5CC(O)CCC5(C)C4CC(O)C3(C)C1C2C| HBA: | 4 | RingCount: | 6 |
| HBD: | 2 | FractionCSP3: | 0.93 |
| AlogP: | 4.68 | Num_rotatable_bonds: | 0 |
| MolWt: | 430.63 | Num_heavy_atoms: | 31 |
| TPSA: | 58.92 | NumAromaticRings: | 0 |
