Glycoside
GD139641
Name:
Trikamsteroside EFormula:
C48H76O23Smiles:
CC1COC2(OC3CC4C5CC=C6CC(O)CC(OC7OCC(O)C(OC8OCC(O)C(O)C8O)C7OC7OC(C)C(O)C(OC8OCC(O)(CO)C8O)C7O)C6(C)C5CCC4(C)C3C2CO)C(O)C1OAglycone:
CC1COC2(OC3CC4C5CC=C6CC(O)CC(O)C6(C)C5CCC4(C)C3C2CO)C(O)C1OSugarmoiety:
CC1OC(OC2C(O)OCC(O)C2OC2OCC(O)C(O)C2O)C(O)C(OC2OCC(O)(CO)C2O)C1OOther Identifiers
Properties
| HBA: | 23 | RingCount: | 10 |
| HBD: | 13 | FractionCSP3: | 0.96 |
| AlogP: | -4.16 | Num_rotatable_bonds: | 10 |
| MolWt: | 1021.11 | Num_heavy_atoms: | 71 |
| TPSA: | 355.29 | NumAromaticRings: | 0 |
Unique Aglycone
AD21916
Formula: C27H42O7
Smiles:
CC1COC2(OC3CC4C5CC=C6CC(O)CC(O)C6(C)C5CCC4(C)C3C2CO)C(O)C1O| HBA: | 7 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 0.93 |
| AlogP: | 1.6 | Num_rotatable_bonds: | 1 |
| MolWt: | 478.63 | Num_heavy_atoms: | 34 |
| TPSA: | 119.61 | NumAromaticRings: | 0 |
