Glycoside
GD107615
Name:
[4,5-bis(acetyloxy)-6-[(1,4-dioxo-1,4-dihydronaphthalen-2-yl)oxy]-3-{[3,4,5-tris(acetyloxy)-6-[(acetyloxy)methyl]oxan-2-yl]oxy}oxan-2-yl]methyl acetateFormula:
C36H40O20Smiles:
CC(=O)OC[C@H]1O[C@@H](OC2=CC(=O)c3ccccc3C2=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1O[C@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=OAglycone:
COC(C)=O.COC(C)=O.O=C1C=C(O)C(=O)c2ccccc21Sugarmoiety:
CC(=O)OC1C(O)OC(O)C(OC2OC(O)C(OC(C)=O)C(OC(C)=O)C2OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 4 |
| HBD: | 0 | FractionCSP3: | 0.53 |
| AlogP: | 0.59 | Num_rotatable_bonds: | 13 |
| MolWt: | 792.7 | Num_heavy_atoms: | 56 |
| TPSA: | 255.16 | 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 |
AD15812
Formula: C10H6O3
Smiles:
O=C1C=C(O)C(=O)c2ccccc21| HBA: | 3 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 1.51 | Num_rotatable_bonds: | 0 |
| MolWt: | 174.16 | Num_heavy_atoms: | 13 |
| TPSA: | 54.37 | NumAromaticRings: | 1 |
