Glycoside
GD040420
Name:
4,5-de-epoxypimaricinFormula:
C33H47O12NSmiles:
C[C@@H]1CC=CC=CC=CC=C[C@@H](O[C@H]2O[C@H](C)[C@H](O)[C@H](N)[C@@H]2O)C[C@H]2O[C@](O)(C[C@@H](O)CC=CC=CC(=O)O1)C[C@H](O)[C@@H]2C(=O)OAglycone:
CC1CC=CC=CC=CC=CC(O)CC2OC(O)(CC(O)CC=CC=CC(=O)O1)CC(O)C2C(=O)OSugarmoiety:
CC1OC(O)C(O)C(N)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 8 | FractionCSP3: | 0.58 |
| AlogP: | 0.91 | Num_rotatable_bonds: | 3 |
| MolWt: | 649.73 | Num_heavy_atoms: | 46 |
| TPSA: | 218.46 | NumAromaticRings: | 0 |
Unique Aglycone
AD24763
Formula: C27H36O9
Smiles:
CC1CC=CC=CC=CC=CC(O)CC2OC(O)(CC(O)CC=CC=CC(=O)O1)CC(O)C2C(=O)O| HBA: | 9 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.48 |
| AlogP: | 2.09 | Num_rotatable_bonds: | 1 |
| MolWt: | 504.58 | Num_heavy_atoms: | 36 |
| TPSA: | 153.75 | NumAromaticRings: | 0 |
