Glycoside
GD138096
Name:
2-(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-2-(2-methylfuran-3-carbonyloxy)-1,2,3,5,6,7,8,8a-octahydronaphthalen-1-yl)acetic acidFormula:
C40H60O16Smiles:
COC1CC(OC2C(C)OC(OC3C(C)OC(OC4CC5=CCC(OC(=O)c6ccoc6C)C(CC(=O)O)C5(C)CC4O)CC3OC)CC2OC)OC(C)C1OAglycone:
Cc1occc1C(=O)OC1CC=C2CC(O)C(O)CC2(C)C1CC(=O)OSugarmoiety:
COC1CC(OC2C(C)OC(OC3C(C)OC(O)CC3OC)CC2OC)OC(C)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 6 |
| HBD: | 3 | FractionCSP3: | 0.8 |
| AlogP: | 3.66 | Num_rotatable_bonds: | 13 |
| MolWt: | 796.9 | Num_heavy_atoms: | 56 |
| TPSA: | 200.27 | NumAromaticRings: | 1 |
Unique Aglycone
AD55762
Formula: C19H24O7
Smiles:
Cc1occc1C(=O)OC1CC=C2CC(O)C(O)CC2(C)C1CC(=O)O| HBA: | 7 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.58 |
| AlogP: | 2.06 | Num_rotatable_bonds: | 4 |
| MolWt: | 364.39 | Num_heavy_atoms: | 26 |
| TPSA: | 117.2 | NumAromaticRings: | 1 |
