Glycoside
GD034217
Name:
Tricalysioside BFormula:
C26H38O9Smiles:
C[C@@]12CC[C@@H]3OC(=O)C=C3C1CC[C@@]13CC(CCC12)[C@@](CO)(O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)C3Aglycone:
CC12CCC3OC(=O)C=C3C1CCC13CC(CCC12)C(O)(CO)C3Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 0.88 |
| AlogP: | 0.4 | Num_rotatable_bonds: | 4 |
| MolWt: | 494.58 | Num_heavy_atoms: | 35 |
| TPSA: | 145.91 | NumAromaticRings: | 0 |
Unique Aglycone
AD21776
Formula: C20H28O4
Smiles:
CC12CCC3OC(=O)C=C3C1CCC13CC(CCC12)C(O)(CO)C3| HBA: | 4 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.85 |
| AlogP: | 2.58 | Num_rotatable_bonds: | 1 |
| MolWt: | 332.44 | Num_heavy_atoms: | 24 |
| TPSA: | 66.76 | NumAromaticRings: | 0 |
