Glycoside
GD004775
Name:
RUBIANOSIDE IFormula:
C38H60O10Smiles:
CC(=O)O[C@@H]1C[C@]2(C)C3=CC[C@]4(C)[C@@H]5[C@@H]6C[C@H](C(C)C)[C@@]5(CC[C@@]4(C)[C@H]3[C@H](O)C[C@H]2C(C)(C)[C@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)CO6Aglycone:
CC(=O)OC1CC2(C)C3=CCC4(C)C5C6CC(C(C)C)C5(CCC4(C)C3C(O)CC2C(C)(C)C1O)CO6Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 7 |
| HBD: | 5 | FractionCSP3: | 0.92 |
| AlogP: | 3.35 | Num_rotatable_bonds: | 5 |
| MolWt: | 676.89 | Num_heavy_atoms: | 48 |
| TPSA: | 155.14 | NumAromaticRings: | 0 |
Unique Aglycone
AD04126
Formula: C32H50O5
Smiles:
CC(=O)OC1CC2(C)C3=CCC4(C)C5C6CC(C(C)C)C5(CCC4(C)C3C(O)CC2C(C)(C)C1O)CO6| HBA: | 5 | RingCount: | 6 |
| HBD: | 2 | FractionCSP3: | 0.91 |
| AlogP: | 5.53 | Num_rotatable_bonds: | 2 |
| MolWt: | 514.75 | Num_heavy_atoms: | 37 |
| TPSA: | 75.99 | NumAromaticRings: | 0 |
