Glycoside
GD146893
Name:
6-{[12-(acetyloxy)-9-hydroxy-6-[(3-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy]-14-(3-hydroxybutan-2-yl)-3,5,7,9,11,13-hexamethyl-2,10-dioxo-1-oxacyclotetradecan-4-yl]oxy}-2,4-dimethyl-3,6-dihydro-2H-pyran-3-yl acetateFormula:
C41H68O15Smiles:
COC1CC(C)OC(OC2C(C)CC(C)(O)C(=O)C(C)C(OC(C)=O)C(C)C(C(C)C(C)O)OC(=O)C(C)C(OC3C=C(C)C(OC(C)=O)C(C)O3)C2C)C1OAglycone:
CC(=O)OC1C(C)=CC(OC2C(C)C(=O)OC(C(C)C(C)O)C(C)C(OC(C)=O)C(C)C(=O)C(C)(O)CC(C)C(O)C2C)OC1CSugarmoiety:
COC1CC(C)OC(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.85 |
| AlogP: | 3.66 | Num_rotatable_bonds: | 9 |
| MolWt: | 800.98 | Num_heavy_atoms: | 56 |
| TPSA: | 202.81 | NumAromaticRings: | 0 |
Unique Aglycone
AD58861
Formula: C34H56O12
Smiles:
CC(=O)OC1C(C)=CC(OC2C(C)C(=O)OC(C(C)C(C)O)C(C)C(OC(C)=O)C(C)C(=O)C(C)(O)CC(C)C(O)C2C)OC1C| HBA: | 12 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.82 |
| AlogP: | 3.12 | Num_rotatable_bonds: | 6 |
| MolWt: | 656.81 | Num_heavy_atoms: | 46 |
| TPSA: | 175.12 | NumAromaticRings: | 0 |
