Glycoside
GD024767
Name:
DIINSININFormula:
C36H32O15Smiles:
O=C1C[C@H](c2ccc(O)cc2)Oc2c1c(O)cc1c2[C@@H]2C[C@](c3ccc(O)c(O)c3)(Oc3cc(O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)cc(O)c32)O1Aglycone:
O=C1CC(c2ccc(O)cc2)Oc2c1c(O)cc1c2C2CC(c3ccc(O)c(O)c3)(Oc3cc(O)cc(O)c32)O1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 8 |
| HBD: | 9 | FractionCSP3: | 0.31 |
| AlogP: | 2.26 | Num_rotatable_bonds: | 5 |
| MolWt: | 704.64 | Num_heavy_atoms: | 51 |
| TPSA: | 245.29 | NumAromaticRings: | 4 |
Unique Aglycone
AD16499
Formula: C30H22O10
Smiles:
O=C1CC(c2ccc(O)cc2)Oc2c1c(O)cc1c2C2CC(c3ccc(O)c(O)c3)(Oc3cc(O)cc(O)c32)O1| HBA: | 10 | RingCount: | 7 |
| HBD: | 6 | FractionCSP3: | 0.17 |
| AlogP: | 4.79 | Num_rotatable_bonds: | 2 |
| MolWt: | 542.5 | Num_heavy_atoms: | 40 |
| TPSA: | 166.14 | NumAromaticRings: | 4 |
