Glycoside
GD121450
Name:
Bethoside BFormula:
C45H76O19Smiles:
CC(CCC(O)C(C)C1C(O)CC2C3CC=C4CC(OC5OC(CO)C(O)C(O)C5OC5OC(CO)C(O)C(O)C5O)CCC4(C)C3CCC21C)COC1OC(CO)C(O)C(O)C1OAglycone:
CC(CO)CCC(O)C(C)C1C(O)CC2C3CC=C4CC(O)CCC4(C)C3CCC21CSugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 7 |
| HBD: | 13 | FractionCSP3: | 0.96 |
| AlogP: | -2.22 | Num_rotatable_bonds: | 15 |
| MolWt: | 921.08 | Num_heavy_atoms: | 64 |
| TPSA: | 318.37 | NumAromaticRings: | 0 |
Unique Aglycone
AD14263
Formula: C27H46O4
Smiles:
CC(CO)CCC(O)C(C)C1C(O)CC2C3CC=C4CC(O)CCC4(C)C3CCC21C| HBA: | 4 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.93 |
| AlogP: | 4.3 | Num_rotatable_bonds: | 6 |
| MolWt: | 434.66 | Num_heavy_atoms: | 31 |
| TPSA: | 80.92 | NumAromaticRings: | 0 |
