Glycoside
GD123472
Name:
NoneFormula:
C59H94O26Smiles:
COC1C(O)C(CO)OC(OC2C(O)C(CO)OC(OC3C(C)OC(OC4C(OC5CCC6(C)C7=CCC89C(=O)OC(C)(CCCC(C)C)C8C(=O)CC9(C)C7CCC6C5(C)C)OCC(O)C4O)C(OC4OCC(O)C(O)C4O)C3O)C2O)C1OAglycone:
CC(C)CCCC1(C)OC(=O)C23CC=C4C(CCC5C4(C)CCC(O)C5(C)C)C2(C)CC(=O)C13Sugarmoiety:
COC1C(O)C(CO)OC(OC2C(O)C(CO)OC(OC3C(C)OC(OC4C(O)OCC(O)C4O)C(OC4OCC(O)C(O)C4O)C3O)C2O)C1OOther Identifiers
Properties
| HBA: | 26 | RingCount: | 10 |
| HBD: | 12 | FractionCSP3: | 0.93 |
| AlogP: | -1.67 | Num_rotatable_bonds: | 17 |
| MolWt: | 1219.38 | Num_heavy_atoms: | 85 |
| TPSA: | 387.66 | NumAromaticRings: | 0 |
Unique Aglycone
AD05963
Formula: C30H46O4
Smiles:
CC(C)CCCC1(C)OC(=O)C23CC=C4C(CCC5C4(C)CCC(O)C5(C)C)C2(C)CC(=O)C13| HBA: | 4 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 0.87 |
| AlogP: | 6.25 | Num_rotatable_bonds: | 4 |
| MolWt: | 470.69 | Num_heavy_atoms: | 34 |
| TPSA: | 63.6 | NumAromaticRings: | 0 |
Sugarmoiety
SD01415
COC1C(O)C(CO)OC(OC2C(O)C(CO)OC(OC3C(C)OC(OC4C(O)OCC(O)C4O)C(OC4OCC(O)C(O)C4O)C3O)C2O)C1O