Glycoside
GD150476
Name:
Isoescin IaFormula:
C55H88O24Smiles:
CC=C(C)C(=O)OC1C(O)C2(COC(C)=O)C(O)CC3(C)C(CCC4C5(C)CCC(OC6OC(C(=O)O)C(OC7OC(CO)C(O)C(O)C7O)C(O)C6OC6OC(CO)C(O)C(O)C6O)C(C)(CO)C5CCC43C)C2CC1(C)CAglycone:
CC=C(C)C(=O)OC1C(O)C2(COC(C)=O)C(O)CC3(C)C(CCC4C5(C)CCC(O)C(C)(CO)C5CCC43C)C2CC1(C)CSugarmoiety:
O=C(O)C1OC(O)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1OC1OC(CO)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 24 | RingCount: | 8 |
| HBD: | 13 | FractionCSP3: | 0.91 |
| AlogP: | -1.24 | Num_rotatable_bonds: | 14 |
| MolWt: | 1133.29 | Num_heavy_atoms: | 79 |
| TPSA: | 388.04 | NumAromaticRings: | 0 |
Unique Aglycone
AD60105
Formula: C37H60O8
Smiles:
CC=C(C)C(=O)OC1C(O)C2(COC(C)=O)C(O)CC3(C)C(CCC4C5(C)CCC(O)C(C)(CO)C5CCC43C)C2CC1(C)C| HBA: | 8 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.89 |
| AlogP: | 5.19 | Num_rotatable_bonds: | 5 |
| MolWt: | 632.88 | Num_heavy_atoms: | 45 |
| TPSA: | 133.52 | NumAromaticRings: | 0 |
