Glycoside
GD121258
Name:
Pterocarinin AFormula:
C46H36O30Smiles:
O=C(OC1COC(=O)c2cc(c(O)c(O)c2O)-c2c(cc(O)c(O)c2O)C(=O)OC1C1OC(=O)c2cc(O)c(O)c(O)c2-c2c(O)c(O)c(O)c3c2C(=O)OC1C3C(=O)C(O)C(O)C(O)CO)c1cc(O)c(O)c(O)c1Aglycone:
O=C(OC1COC(=O)c2cc(c(O)c(O)c2O)-c2c(cc(O)c(O)c2O)C(=O)OC1C1OC(=O)c2cc(O)c(O)c(O)c2-c2c(O)c(O)c(O)c3c2C(=O)OC1C3)c1cc(O)c(O)c(O)c1Sugarmoiety:
O=C(O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 30 | RingCount: | 9 |
| HBD: | 19 | FractionCSP3: | 0.22 |
| AlogP: | -0.97 | Num_rotatable_bonds: | 8 |
| MolWt: | 1068.76 | Num_heavy_atoms: | 76 |
| TPSA: | 532.94 | NumAromaticRings: | 5 |
Unique Aglycone
AD48795
Formula: C41H28O25
Smiles:
O=C(OC1COC(=O)c2cc(c(O)c(O)c2O)-c2c(cc(O)c(O)c2O)C(=O)OC1C1OC(=O)c2cc(O)c(O)c(O)c2-c2c(O)c(O)c(O)c3c2C(=O)OC1C3)c1cc(O)c(O)c(O)c1| HBA: | 25 | RingCount: | 9 |
| HBD: | 15 | FractionCSP3: | 0.15 |
| AlogP: | 1.85 | Num_rotatable_bonds: | 3 |
| MolWt: | 920.65 | Num_heavy_atoms: | 66 |
| TPSA: | 434.95 | NumAromaticRings: | 5 |
