Glycoside
GD112315
Name:
NoneFormula:
C31H22O16Smiles:
O=C(OC[C@@H]1O[C@H](OC(=O)c2ccco2)[C@@H](OC(=O)c2ccco2)[C@H](OC(=O)c2ccco2)[C@H]1OC(=O)c1ccco1)c1ccco1Aglycone:
COC(=O)c1ccco1.O=C(O)c1ccco1.O=C(O)c1ccco1.O=C(O)c1ccco1.O=C(O)c1ccco1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 6 |
| HBD: | 0 | FractionCSP3: | 0.19 |
| AlogP: | 4.07 | Num_rotatable_bonds: | 11 |
| MolWt: | 650.5 | Num_heavy_atoms: | 47 |
| TPSA: | 206.43 | NumAromaticRings: | 5 |
Unique Aglycone
AD04664
Formula: C6H6O3
Smiles:
COC(=O)c1ccco1| HBA: | 3 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.17 |
| AlogP: | 1.07 | Num_rotatable_bonds: | 1 |
| MolWt: | 126.11 | Num_heavy_atoms: | 9 |
| TPSA: | 39.44 | NumAromaticRings: | 1 |
AD09286
Formula: C5H4O3
Smiles:
O=C(O)c1ccco1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 0.98 | Num_rotatable_bonds: | 1 |
| MolWt: | 112.08 | Num_heavy_atoms: | 8 |
| TPSA: | 50.44 | NumAromaticRings: | 1 |
