Glycoside
GD027192
Name:
BUPLEUROSIDE VFormula:
C42H66O15Smiles:
C[C@@H]1O[C@H](OC2CC[C@]3(C)C(CC[C@]4(C)C3C=CC3=C5C[C@@](C)(C(=O)O)CC[C@@]5(CO)[C@H](O)C[C@]34C)[C@@]2(C)CO)[C@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H]1OAglycone:
CC1(C(=O)O)CCC2(CO)C(=C3C=CC4C5(C)CCC(O)C(C)(CO)C5CCC4(C)C3(C)CC2O)C1Sugarmoiety:
CC1OC(O)C(O)C(OC2OC(CO)C(O)C(O)C2O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 7 |
| HBD: | 10 | FractionCSP3: | 0.88 |
| AlogP: | 0.75 | Num_rotatable_bonds: | 8 |
| MolWt: | 810.98 | Num_heavy_atoms: | 57 |
| TPSA: | 256.29 | NumAromaticRings: | 0 |
Unique Aglycone
AD17895
Formula: C30H46O6
Smiles:
CC1(C(=O)O)CCC2(CO)C(=C3C=CC4C5(C)CCC(O)C(C)(CO)C5CCC4(C)C3(C)CC2O)C1| HBA: | 6 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.83 |
| AlogP: | 4.07 | Num_rotatable_bonds: | 3 |
| MolWt: | 502.69 | Num_heavy_atoms: | 36 |
| TPSA: | 118.22 | NumAromaticRings: | 0 |
