Glycoside
GD128351
Name:
NoneFormula:
C46H74O20Smiles:
CC(C)=CCC(O)C(C)C1CCC2(C(=O)O)C3=C(CCC12C)C1(C)CCC(OC2OC(CO)C(O)C(O)C2OC2OCC(OC4OC(CO)C(O)C(O)C4O)C(O)C2O)C(O)(CO)C1CC3Aglycone:
CC(C)=CCC(O)C(C)C1CCC2(C(=O)O)C3=C(CCC12C)C1(C)CCC(O)C(O)(CO)C1CC3Sugarmoiety:
OCC1OC(OC2COC(OC3C(O)OC(CO)C(O)C3O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 7 |
| HBD: | 13 | FractionCSP3: | 0.89 |
| AlogP: | -1.68 | Num_rotatable_bonds: | 14 |
| MolWt: | 947.08 | Num_heavy_atoms: | 66 |
| TPSA: | 335.44 | NumAromaticRings: | 0 |
Unique Aglycone
AD51989
Formula: C29H46O6
Smiles:
CC(C)=CCC(O)C(C)C1CCC2(C(=O)O)C3=C(CCC12C)C1(C)CCC(O)C(O)(CO)C1CC3| HBA: | 6 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.83 |
| AlogP: | 4.21 | Num_rotatable_bonds: | 6 |
| MolWt: | 490.68 | Num_heavy_atoms: | 35 |
| TPSA: | 118.22 | NumAromaticRings: | 0 |
