Glycoside
GD015401
Name:
6-({5-[(4,5-dihydroxy-4,6-dimethyloxan-2-yl)oxy]-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl}oxy)-10-hydroxy-5-methoxy-9,16-dimethyl-2-oxo-7-(2-oxoethyl)-1-oxacyclohexadeca-11,13-dien-4-yl acetateFormula:
C37H61O14NSmiles:
CO[C@H]1[C@H](OC(C)=O)CC(=O)O[C@@H](C)CC=CC=C[C@@H](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(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: | 15 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.81 |
| AlogP: | 1.42 | Num_rotatable_bonds: | 9 |
| MolWt: | 743.89 | Num_heavy_atoms: | 52 |
| TPSA: | 199.98 | NumAromaticRings: | 0 |
Unique Aglycone
AD04097
Formula: C22H34O8
Smiles:
COC1C(OC(C)=O)CC(=O)OC(C)CC=CC=CC(O)C(C)CC(CC=O)C1O| HBA: | 8 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.68 |
| AlogP: | 1.72 | Num_rotatable_bonds: | 4 |
| MolWt: | 426.51 | Num_heavy_atoms: | 30 |
| TPSA: | 119.36 | NumAromaticRings: | 0 |
