Glycoside
GD141778
Name:
3-[4-(acetyloxy)-7-hydroxy-12-[(5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl)oxy]-10-[(3-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy]-3,5,7,9,11,13-hexamethyl-6,14-dioxo-1-oxacyclotetradecan-2-yl]butan-2-yl acetateFormula:
C42H72O16Smiles:
COC1CC(C)OC(OC2C(C)CC(C)(O)C(=O)C(C)C(OC(C)=O)C(C)C(C(C)C(C)OC(C)=O)OC(=O)C(C)C(OC3CC(C)(OC)C(O)C(C)O3)C2C)C1OAglycone:
CC(=O)OC(C)C(C)C1OC(=O)C(C)C(O)C(C)C(O)C(C)CC(C)(O)C(=O)C(C)C(OC(C)=O)C1CSugarmoiety:
COC1(C)CC(O)OC(C)C1O.COC1CC(C)OC(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.9 |
| AlogP: | 3.5 | Num_rotatable_bonds: | 10 |
| MolWt: | 833.02 | Num_heavy_atoms: | 58 |
| TPSA: | 212.04 | NumAromaticRings: | 0 |
Unique Aglycone
AD50159
Formula: C27H46O10
Smiles:
CC(=O)OC(C)C(C)C1OC(=O)C(C)C(O)C(C)C(O)C(C)CC(C)(O)C(=O)C(C)C(OC(C)=O)C1C| HBA: | 10 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.85 |
| AlogP: | 2.04 | Num_rotatable_bonds: | 4 |
| MolWt: | 530.66 | Num_heavy_atoms: | 37 |
| TPSA: | 156.66 | NumAromaticRings: | 0 |
