Glycoside
GD004975
Name:
ALPINDENOSIDE BFormula:
C32H48O13Smiles:
C[C@@H]1O[C@H](O[C@H]2[C@H](O[C@@H]3CC[C@]4(C)C5=C(CC[C@H]4C3(C)C)CO[C@H](C3=CCOC3=O)C5)O[C@@H](CO)[C@@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1OAglycone:
CC12CCC(O)C(C)(C)C1CCC1=C2CC(C2=CCOC2=O)OC1Sugarmoiety:
CC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.84 |
| AlogP: | -0.17 | Num_rotatable_bonds: | 6 |
| MolWt: | 640.72 | Num_heavy_atoms: | 45 |
| TPSA: | 193.83 | NumAromaticRings: | 0 |
Unique Aglycone
AD04269
Formula: C20H28O4
Smiles:
CC12CCC(O)C(C)(C)C1CCC1=C2CC(C2=CCOC2=O)OC1| HBA: | 4 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.75 |
| AlogP: | 3.15 | Num_rotatable_bonds: | 1 |
| MolWt: | 332.44 | Num_heavy_atoms: | 24 |
| TPSA: | 55.76 | NumAromaticRings: | 0 |
