Glycoside
GD119342
Name:
7-hydroxy-6-{[5-({5-[(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy]-4-methoxy-6-methyloxan-2-yl}oxy)-4-methoxy-6-methyloxan-2-yl]oxy}-8a-methyl-1-[3-(2-methylfuran-3-yl)-3-oxopropyl]-1,2,3,5,6,7,8,8a-octahydronaphthalene-2-carboxylic acidFormula:
C41H62O15Smiles:
COC1CC(OC2C(C)OC(OC3C(C)OC(OC4CC5=CCC(C(=O)O)C(CCC(=O)c6ccoc6C)C5(C)CC4O)CC3OC)CC2OC)OC(C)C1OAglycone:
Cc1occc1C(=O)CCC1C(C(=O)O)CC=C2CC(O)C(O)CC21CSugarmoiety:
COC1CC(OC2C(C)OC(OC3C(C)OC(O)CC3OC)CC2OC)OC(C)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 6 |
| HBD: | 3 | FractionCSP3: | 0.8 |
| AlogP: | 4.33 | Num_rotatable_bonds: | 14 |
| MolWt: | 794.93 | Num_heavy_atoms: | 56 |
| TPSA: | 191.04 | NumAromaticRings: | 1 |
Unique Aglycone
AD47794
Formula: C20H26O6
Smiles:
Cc1occc1C(=O)CCC1C(C(=O)O)CC=C2CC(O)C(O)CC21C| HBA: | 6 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.6 |
| AlogP: | 2.72 | Num_rotatable_bonds: | 5 |
| MolWt: | 362.42 | Num_heavy_atoms: | 26 |
| TPSA: | 107.97 | NumAromaticRings: | 1 |
