Glycoside
GD118176
Name:
Ilekudinoside OFormula:
C41H62O13Smiles:
CC1(C)C(OC2OCC(O)C(O)C2OC2OC(CO)C(O)C(O)C2O)CCC2(C)C1CCC1(C)C2C=CC2=C3C4(CCC(C)(OC4=O)C3(C)O)CCC21CAglycone:
CC1(C)C(O)CCC2(C)C1CCC1(C)C2C=CC2=C3C4(CCC(C)(OC4=O)C3(C)O)CCC21CSugarmoiety:
OCC1OC(OC2C(O)OCC(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 9 |
| HBD: | 7 | FractionCSP3: | 0.88 |
| AlogP: | 2.01 | Num_rotatable_bonds: | 5 |
| MolWt: | 762.93 | Num_heavy_atoms: | 54 |
| TPSA: | 204.83 | NumAromaticRings: | 0 |
Unique Aglycone
AD47224
Formula: C30H44O4
Smiles:
CC1(C)C(O)CCC2(C)C1CCC1(C)C2C=CC2=C3C4(CCC(C)(OC4=O)C3(C)O)CCC21C| HBA: | 4 | RingCount: | 7 |
| HBD: | 2 | FractionCSP3: | 0.83 |
| AlogP: | 5.72 | Num_rotatable_bonds: | 0 |
| MolWt: | 468.68 | Num_heavy_atoms: | 34 |
| TPSA: | 66.76 | NumAromaticRings: | 0 |
