Glycoside
GD124201
Name:
3-[4-(acetyloxy)-12-{[5-(acetyloxy)-4-methoxy-4,6-dimethyloxan-2-yl]oxy}-7-hydroxy-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:
C44H74O17Smiles:
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(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)C1OC(C)=O.COC1CC(C)OC(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.89 |
| AlogP: | 4.07 | Num_rotatable_bonds: | 11 |
| MolWt: | 875.06 | Num_heavy_atoms: | 61 |
| TPSA: | 218.11 | 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 |
