Glycoside
GD031125
Name:
Bugbanoside FFormula:
C35H54O10Smiles:
C[C@@H]1C[C@@H]2O[C@]3(O[C@H]2C(C)(C)O)[C@@H]1[C@]1(C)[C@@H](O)C[C@]24C[C@]25CC[C@@H](O[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)C(C)(C)[C@H]5CC=C4[C@@]1(C)[C@H]3OAglycone:
CC1CC2OC3(OC2C(C)(C)O)C(O)C2(C)C4=CCC5C(C)(C)C(O)CCC56CC46CC(O)C2(C)C13Sugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 8 |
| HBD: | 6 | FractionCSP3: | 0.94 |
| AlogP: | 2.01 | Num_rotatable_bonds: | 3 |
| MolWt: | 634.81 | Num_heavy_atoms: | 45 |
| TPSA: | 158.3 | NumAromaticRings: | 0 |
Unique Aglycone
AD20076
Formula: C30H46O6
Smiles:
CC1CC2OC3(OC2C(C)(C)O)C(O)C2(C)C4=CCC5C(C)(C)C(O)CCC56CC46CC(O)C2(C)C13| HBA: | 6 | RingCount: | 7 |
| HBD: | 4 | FractionCSP3: | 0.93 |
| AlogP: | 3.55 | Num_rotatable_bonds: | 1 |
| MolWt: | 502.69 | Num_heavy_atoms: | 36 |
| TPSA: | 99.38 | NumAromaticRings: | 0 |
