Glycoside
GD144223
Name:
7-acetyl-6-({5-[(4,5-dihydroxy-4,6-dimethyloxan-2-yl)oxy]-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl}oxy)-4,10-dihydroxy-5-methoxy-9,16-dimethyl-1-oxacyclohexadeca-11,13-dien-2-oneFormula:
C35H59O13NSmiles:
COC1C(O)CC(=O)OC(C)CC=CC=CC(O)C(C)CC(C(C)=O)C1OC1OC(C)C(OC2CC(C)(O)C(O)C(C)O2)C(N(C)C)C1OAglycone:
COC1C(O)CC(=O)OC(C)CC=CC=CC(O)C(C)CC(C(C)=O)C1OSugarmoiety:
CC1OC(O)C(O)C(N(C)C)C1OC1CC(C)(O)C(O)C(C)O1Other Identifiers
Properties
| HBA: | 14 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.83 |
| AlogP: | 0.85 | Num_rotatable_bonds: | 7 |
| MolWt: | 701.85 | Num_heavy_atoms: | 49 |
| TPSA: | 193.91 | NumAromaticRings: | 0 |
Unique Aglycone
AD57970
Formula: C20H32O7
Smiles:
COC1C(O)CC(=O)OC(C)CC=CC=CC(O)C(C)CC(C(C)=O)C1O| HBA: | 7 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.7 |
| AlogP: | 1.15 | Num_rotatable_bonds: | 2 |
| MolWt: | 384.47 | Num_heavy_atoms: | 27 |
| TPSA: | 113.29 | NumAromaticRings: | 0 |
