Glycoside
GD117425
Name:
{5-[3-(acetyloxy)propyl]-7-methoxy-2-(3-methoxy-4-{[3,4,5-tris(acetyloxy)-6-[(acetyloxy)methyl]oxan-2-yl]oxy}phenyl)-2,3-dihydro-1-benzofuran-3-yl}methyl acetateFormula:
C38H46O17Smiles:
COc1cc(C2Oc3c(OC)cc(CCCOC(C)=O)cc3C2COC(C)=O)ccc1OC1OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=OAglycone:
COC(C)=O.COc1cc(C2Oc3c(OC)cc(CCCOC(C)=O)cc3C2COC(C)=O)ccc1OSugarmoiety:
CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 4 |
| HBD: | 0 | FractionCSP3: | 0.53 |
| AlogP: | 3.44 | Num_rotatable_bonds: | 16 |
| MolWt: | 774.77 | Num_heavy_atoms: | 55 |
| TPSA: | 203.95 | NumAromaticRings: | 2 |
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 |
AD46814
Formula: C24H28O8
Smiles:
COc1cc(C2Oc3c(OC)cc(CCCOC(C)=O)cc3C2COC(C)=O)ccc1O| HBA: | 8 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.42 |
| AlogP: | 3.69 | Num_rotatable_bonds: | 9 |
| MolWt: | 444.48 | Num_heavy_atoms: | 32 |
| TPSA: | 100.52 | NumAromaticRings: | 2 |
