Glycoside
GD152043
Name:
6-({5-[(4,5-dihydroxy-4,6-dimethyloxan-2-yl)oxy]-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl}oxy)-10,15-dihydroxy-5-methoxy-9,16-dimethyl-2-oxo-7-(2-oxoethyl)-1-oxacyclohexadeca-11,13-dien-4-yl acetateFormula:
C37H61O15NSmiles:
COC1C(OC(C)=O)CC(=O)OC(C)C(O)C=CC=CC(O)C(C)CC(CC=O)C1OC1OC(C)C(OC2CC(C)(O)C(O)C(C)O2)C(N(C)C)C1OAglycone:
COC1C(OC(C)=O)CC(=O)OC(C)C(O)C=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: | 16 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.81 |
| AlogP: | 0.39 | Num_rotatable_bonds: | 9 |
| MolWt: | 759.89 | Num_heavy_atoms: | 53 |
| TPSA: | 220.21 | NumAromaticRings: | 0 |
Unique Aglycone
AD60573
Formula: C22H34O9
Smiles:
COC1C(OC(C)=O)CC(=O)OC(C)C(O)C=CC=CC(O)C(C)CC(CC=O)C1O| HBA: | 9 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.68 |
| AlogP: | 0.69 | Num_rotatable_bonds: | 4 |
| MolWt: | 442.51 | Num_heavy_atoms: | 31 |
| TPSA: | 139.59 | NumAromaticRings: | 0 |
