Glycoside
GD033240
Name:
NoneFormula:
C21H26O12Smiles:
CC[C@H](CO)C(=O)OC[C@@H]1O[C@H](OCc2cc(=O)c3c(O)cc(O)cc3o2)[C@H](O)[C@H](O)[C@H]1OAglycone:
CCC(CO)C(=O)OC.O=c1cc(CO)oc2cc(O)cc(O)c12Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.52 |
| AlogP: | -0.91 | Num_rotatable_bonds: | 8 |
| MolWt: | 470.43 | Num_heavy_atoms: | 33 |
| TPSA: | 196.35 | NumAromaticRings: | 2 |
Unique Aglycone
AD12597
Formula: C10H8O5
Smiles:
O=c1cc(CO)oc2cc(O)cc(O)c12| HBA: | 5 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.1 |
| AlogP: | 0.7 | Num_rotatable_bonds: | 1 |
| MolWt: | 208.17 | Num_heavy_atoms: | 15 |
| TPSA: | 90.9 | NumAromaticRings: | 2 |
AD21235
Formula: C6H12O3
Smiles:
CCC(CO)C(=O)OC| HBA: | 3 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.83 |
| AlogP: | 0.18 | Num_rotatable_bonds: | 3 |
| MolWt: | 132.16 | Num_heavy_atoms: | 9 |
| TPSA: | 46.53 | NumAromaticRings: | 0 |
