Glycoside
GD148767
Name:
2-{[4,5-dihydroxy-2-(hydroxymethyl)-6-{5,9',13'-trimethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,â¹.0â´,â¸.0¹³,¹â¸]icosan]-18'-eneoxy}oxan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C38H60O13Smiles:
CC1CCC2(CC3C(CC4C5CC=C6CC(OC7OC(CO)C(OC8OC(CO)C(O)C(O)C8O)C(O)C7O)CCC6(C)C5CCC34C)O2)OC1Aglycone:
CC1CCC2(CC3C(CC4C5CC=C6CC(O)CCC6(C)C5CCC34C)O2)OC1Sugarmoiety:
OCC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 8 |
| HBD: | 7 | FractionCSP3: | 0.95 |
| AlogP: | 1.12 | Num_rotatable_bonds: | 6 |
| MolWt: | 724.88 | Num_heavy_atoms: | 51 |
| TPSA: | 196.99 | NumAromaticRings: | 0 |
Unique Aglycone
AD50212
Formula: C26H40O3
Smiles:
CC1CCC2(CC3C(CC4C5CC=C6CC(O)CCC6(C)C5CCC34C)O2)OC1| HBA: | 3 | RingCount: | 6 |
| HBD: | 1 | FractionCSP3: | 0.92 |
| AlogP: | 5.47 | Num_rotatable_bonds: | 0 |
| MolWt: | 400.6 | Num_heavy_atoms: | 29 |
| TPSA: | 38.69 | NumAromaticRings: | 0 |
