Glycoside
GD127607
Name:
3-(6-{[3,4,5-tris(acetyloxy)-6-[(acetyloxy)methyl]oxan-2-yl]oxy}-1-benzofuran-5-yl)prop-2-enoic acidFormula:
C25H26O13Smiles:
CC(=O)OCC1OC(Oc2cc3occc3cc2C=CC(=O)O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=OAglycone:
COC(C)=O.O=C(O)C=Cc1cc2ccoc2cc1OSugarmoiety:
CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.4 |
| AlogP: | 1.99 | Num_rotatable_bonds: | 9 |
| MolWt: | 534.47 | Num_heavy_atoms: | 38 |
| TPSA: | 174.1 | 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 |
AD04254
Formula: C11H8O4
Smiles:
O=C(O)C=Cc1cc2ccoc2cc1O| HBA: | 4 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 2.24 | Num_rotatable_bonds: | 2 |
| MolWt: | 204.18 | Num_heavy_atoms: | 15 |
| TPSA: | 70.67 | NumAromaticRings: | 2 |
