Glycoside
GD025049
Name:
polycavernoside BFormula:
C43H68O16Smiles:
CO[C@@H]1[C@H](O[C@H]2[C@H](OC)[C@@H](O[C@@H]3C[C@@H]4CC(=O)[C@]5(O)O[C@H](C[C@H]5C)C(C)(C)[C@H](C=CC=CC(C)C)OC(=O)C[C@H](O4)[C@H]3C)OC[C@H]2OC(C)=O)O[C@H](C)[C@H](OC)[C@H]1OCAglycone:
CC(C)C=CC=CC1OC(=O)CC2OC(CC(=O)C3(O)OC(CC3C)C1(C)C)CC(O)C2CSugarmoiety:
COC1C(C)OC(OC2C(OC(C)=O)COC(O)C2OC)C(OC)C1OCOther Identifiers
Properties
| HBA: | 16 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 0.84 |
| AlogP: | 3.83 | Num_rotatable_bonds: | 12 |
| MolWt: | 841.0 | Num_heavy_atoms: | 59 |
| TPSA: | 182.2 | NumAromaticRings: | 0 |
Unique Aglycone
AD16653
Formula: C26H40O7
Smiles:
CC(C)C=CC=CC1OC(=O)CC2OC(CC(=O)C3(O)OC(CC3C)C1(C)C)CC(O)C2C| HBA: | 7 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.77 |
| AlogP: | 3.32 | Num_rotatable_bonds: | 3 |
| MolWt: | 464.6 | Num_heavy_atoms: | 33 |
| TPSA: | 102.29 | NumAromaticRings: | 0 |
