Glycoside
GD035708
Name:
NoneFormula:
C68H54O43Smiles:
O=C(OC[C@@H]1O[C@H](O[C@@H]2O[C@H](COC(=O)c3ccc(O)c(O)c3O)[C@H](OC(=O)c3ccc(O)c(O)c3O)[C@H](OC(=O)c3ccc(O)c(O)c3O)[C@H]2OC(=O)c2ccc(O)c(O)c2O)[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:
COC(=O)c1ccc(O)c(O)c1O.COC(=O)c1ccc(O)c(O)c1O.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(O)c1ccc(O)c(O)c1O.O=C(O)c1ccc(O)c(O)c1O.O=C(O)c1ccc(O)c(O)c1OSugarmoiety:
OC1OC(OC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 43 | RingCount: | 10 |
| HBD: | 24 | FractionCSP3: | 0.18 |
| AlogP: | 2.45 | Num_rotatable_bonds: | 20 |
| MolWt: | 1559.14 | Num_heavy_atoms: | 111 |
| TPSA: | 723.61 | NumAromaticRings: | 8 |
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 |
AD20802
Formula: C8H8O5
Smiles:
COC(=O)c1ccc(O)c(O)c1O| HBA: | 5 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.12 |
| AlogP: | 0.59 | Num_rotatable_bonds: | 1 |
| MolWt: | 184.15 | Num_heavy_atoms: | 13 |
| TPSA: | 86.99 | NumAromaticRings: | 1 |
