Glycoside
GD020723
Name:
NoneFormula:
C39H63O15NSmiles:
CO[C@H]1[C@H](OC(C)=O)CC(=O)O[C@@H](C)CC=CC=C[C@@H](OC(C)=O)[C@@H](C)C[C@@H](CC=O)[C@H]1O[C@@H]1O[C@H](C)[C@H](O[C@@H]2C[C@@](C)(O)[C@H](O)[C@H](C)O2)[C@H](N(C)C)[C@H]1OAglycone:
COC1C(OC(C)=O)CC(=O)OC(C)CC=CC=CC(OC(C)=O)C(C)CC(CC=O)C1OSugarmoiety:
CC1OC(O)C(O)C(N(C)C)C1OC1CC(C)(O)C(O)C(C)O1Other Identifiers
Properties
| HBA: | 16 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.79 |
| AlogP: | 1.99 | Num_rotatable_bonds: | 10 |
| MolWt: | 785.93 | Num_heavy_atoms: | 55 |
| TPSA: | 206.05 | NumAromaticRings: | 0 |
Unique Aglycone
AD01717
Formula: C24H36O9
Smiles:
COC1C(OC(C)=O)CC(=O)OC(C)CC=CC=CC(OC(C)=O)C(C)CC(CC=O)C1O| HBA: | 9 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.67 |
| AlogP: | 2.3 | Num_rotatable_bonds: | 5 |
| MolWt: | 468.54 | Num_heavy_atoms: | 33 |
| TPSA: | 125.43 | NumAromaticRings: | 0 |
