Glycoside
GD143741
Name:
[3,5-bis(acetyloxy)-6-{2-[3-(acetyloxy)-4-methoxyphenyl]ethoxy}-4-{[3,4,5-tris(acetyloxy)-6-[(acetyloxy)methyl]oxan-2-yl]oxy}oxan-2-yl]methyl acetateFormula:
C37H48O21Smiles:
COc1ccc(CCOC2OC(COC(C)=O)C(OC(C)=O)C(OC3OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C3OC(C)=O)C2OC(C)=O)cc1OC(C)=OAglycone:
COC(C)=O.COC(C)=O.COc1ccc(CCO)cc1OC(C)=OSugarmoiety:
CC(=O)OCC1OC(OC2OC(O)OC(O)C2OC(C)=O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 21 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.62 |
| AlogP: | 0.8 | Num_rotatable_bonds: | 17 |
| MolWt: | 828.77 | Num_heavy_atoms: | 58 |
| TPSA: | 256.55 | NumAromaticRings: | 1 |
Unique Aglycone
AD00017
Formula: C3H6O2
Smiles:
COC(C)=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.67 |
| AlogP: | 0.18 | Num_rotatable_bonds: | 0 |
| MolWt: | 74.08 | Num_heavy_atoms: | 5 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
AD57792
Formula: C11H14O4
Smiles:
COc1ccc(CCO)cc1OC(C)=O| HBA: | 4 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.36 |
| AlogP: | 1.16 | Num_rotatable_bonds: | 4 |
| MolWt: | 210.23 | Num_heavy_atoms: | 15 |
| TPSA: | 55.76 | NumAromaticRings: | 1 |
