Glycoside
GD134724
Name:
Brodiosaponin AFormula:
C44H70O20Smiles:
CC1COC2(OC3CC4C5CC=C6CC(O)CC(OC7OC(CO)C(O)C(OC8OCC(O)C(O)C8O)C7OC7OC(C)C(O)C(O)C7O)C6(C)C5CC(O)C4(C)C3C2C)C(O)C1OAglycone:
CC1COC2(OC3CC4C5CC=C6CC(O)CC(O)C6(C)C5CC(O)C4(C)C3C2C)C(O)C1OSugarmoiety:
CC1OC(OC2C(O)OC(CO)C(O)C2OC2OCC(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 9 |
| HBD: | 12 | FractionCSP3: | 0.95 |
| AlogP: | -3.26 | Num_rotatable_bonds: | 7 |
| MolWt: | 919.02 | Num_heavy_atoms: | 64 |
| TPSA: | 316.6 | NumAromaticRings: | 0 |
Unique Aglycone
AD46629
Formula: C27H42O7
Smiles:
CC1COC2(OC3CC4C5CC=C6CC(O)CC(O)C6(C)C5CC(O)C4(C)C3C2C)C(O)C1O| HBA: | 7 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 0.93 |
| AlogP: | 1.6 | Num_rotatable_bonds: | 0 |
| MolWt: | 478.63 | Num_heavy_atoms: | 34 |
| TPSA: | 119.61 | NumAromaticRings: | 0 |
