Glycoside
GD127893
Name:
Trojanoside BFormula:
C46H76O18Smiles:
CC(C)(OC1OC(CO)C(O)C(O)C1O)C1CCC(C)(C2C(O)CC3(C)C4CC(OC5OCC(O)C(O)C5O)C5C(C)(C)C(OC6OCC(O)C(O)C6O)CCC56CC46CCC23C)O1Aglycone:
CC(C)(O)C1CCC(C)(C2C(O)CC3(C)C4CC(O)C5C(C)(C)C(O)CCC56CC46CCC23C)O1Sugarmoiety:
OC1COC(O)C(O)C1O.OC1COC(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 9 |
| HBD: | 11 | FractionCSP3: | 1.0 |
| AlogP: | -0.81 | Num_rotatable_bonds: | 9 |
| MolWt: | 917.1 | Num_heavy_atoms: | 64 |
| TPSA: | 287.14 | NumAromaticRings: | 0 |
Unique Aglycone
AD04921
Formula: C30H50O5
Smiles:
CC(C)(O)C1CCC(C)(C2C(O)CC3(C)C4CC(O)C5C(C)(C)C(O)CCC56CC46CCC23C)O1| HBA: | 5 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 1.0 |
| AlogP: | 4.44 | Num_rotatable_bonds: | 2 |
| MolWt: | 490.73 | Num_heavy_atoms: | 35 |
| TPSA: | 90.15 | NumAromaticRings: | 0 |
