Glycoside
GD010930
Name:
BRIDGESIDE A1Formula:
C48H74O20Smiles:
C[C@@H]1O[C@H](O[C@@H]2[C@H](O[C@H]3[C@H](O[C@@H]4CC[C@]5(C)[C@H](CC[C@]6(C)[C@H]5CC=C5[C@@H]7C[C@](C)(CO)[C@H](O)C[C@@]78C[C@H](OC8=O)[C@]56C)C4(C)C)O[C@@H](C(=O)O)[C@@H](O)[C@H]3O)O[C@H](CO)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1OAglycone:
CC1(CO)CC2C3=CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C3(C)C3CC2(CC1O)C(=O)O3Sugarmoiety:
CC1OC(OC2C(OC3C(O)OC(C(=O)O)C(O)C3O)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 9 |
| HBD: | 11 | FractionCSP3: | 0.92 |
| AlogP: | -0.78 | Num_rotatable_bonds: | 9 |
| MolWt: | 971.1 | Num_heavy_atoms: | 68 |
| TPSA: | 321.28 | NumAromaticRings: | 0 |
Unique Aglycone
AD08386
Formula: C30H46O5
Smiles:
CC1(CO)CC2C3=CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C3(C)C3CC2(CC1O)C(=O)O3| HBA: | 5 | RingCount: | 6 |
| HBD: | 3 | FractionCSP3: | 0.9 |
| AlogP: | 4.63 | Num_rotatable_bonds: | 1 |
| MolWt: | 486.69 | Num_heavy_atoms: | 35 |
| TPSA: | 86.99 | NumAromaticRings: | 0 |
