Glycoside
GD125597
Name:
7-acetyl-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-1-oxacyclohexadeca-11,13-dien-4-yl propanoateFormula:
C38H63O15NSmiles:
CCC(=O)OC1CC(=O)OC(C)C(O)C=CC=CC(O)C(C)CC(C(C)=O)C(OC2OC(C)C(OC3CC(C)(O)C(O)C(C)O3)C(N(C)C)C2O)C1OCAglycone:
CCC(=O)OC1CC(=O)OC(C)C(O)C=CC=CC(O)C(C)CC(C(C)=O)C(O)C1OCSugarmoiety:
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: | 0.82 |
| AlogP: | 0.78 | Num_rotatable_bonds: | 9 |
| MolWt: | 773.91 | Num_heavy_atoms: | 54 |
| TPSA: | 220.21 | NumAromaticRings: | 0 |
Unique Aglycone
AD50799
Formula: C23H36O9
Smiles:
CCC(=O)OC1CC(=O)OC(C)C(O)C=CC=CC(O)C(C)CC(C(C)=O)C(O)C1OC| HBA: | 9 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.7 |
| AlogP: | 1.09 | Num_rotatable_bonds: | 4 |
| MolWt: | 456.53 | Num_heavy_atoms: | 32 |
| TPSA: | 139.59 | NumAromaticRings: | 0 |
