Glycoside
GD034959
Name:
NoneFormula:
C41H32O26Smiles:
O=C(OC[C@H](OC(=O)c1ccc(O)c(O)c1O)[C@@H]1O[C@H](OC(=O)c2ccc(O)c(O)c2O)[C@H](OC(=O)c2ccc(O)c(O)c2O)[C@H]1OC(=O)c1ccc(O)c(O)c1O)c1ccc(O)c(O)c1OAglycone:
O=C(O)c1ccc(O)c(O)c1O.O=C(O)c1ccc(O)c(O)c1O.O=C(O)c1ccc(O)c(O)c1O.O=C(OCCOC(=O)c1ccc(O)c(O)c1O)c1ccc(O)c(O)c1OSugarmoiety:
OCC(O)C1OOC(O)O1Other Identifiers
Properties
| HBA: | 26 | RingCount: | 6 |
| HBD: | 15 | FractionCSP3: | 0.15 |
| AlogP: | 1.69 | Num_rotatable_bonds: | 12 |
| MolWt: | 940.68 | Num_heavy_atoms: | 67 |
| TPSA: | 444.18 | NumAromaticRings: | 5 |
Unique Aglycone
AD14557
Formula: C7H6O5
Smiles:
O=C(O)c1ccc(O)c(O)c1O| HBA: | 5 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.0 |
| AlogP: | 0.5 | Num_rotatable_bonds: | 1 |
| MolWt: | 170.12 | Num_heavy_atoms: | 12 |
| TPSA: | 97.99 | NumAromaticRings: | 1 |
AD22161
Formula: C16H14O10
Smiles:
O=C(OCCOC(=O)c1ccc(O)c(O)c1O)c1ccc(O)c(O)c1O| HBA: | 10 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.12 |
| AlogP: | 0.93 | Num_rotatable_bonds: | 5 |
| MolWt: | 366.28 | Num_heavy_atoms: | 26 |
| TPSA: | 173.98 | NumAromaticRings: | 2 |
