Glycoside
GD144839
Name:
Edgeworoside BFormula:
C32H22O13Smiles:
O=c1ccc2ccc(Oc3cc4ccc(O)c(-c5c(OC6OCC(O)(CO)C6O)ccc6ccc(=O)oc56)c4oc3=O)cc2o1Aglycone:
O=c1ccc2ccc(Oc3cc4ccc(O)c(-c5c(O)ccc6ccc(=O)oc56)c4oc3=O)cc2o1Sugarmoiety:
OCC1(O)COC(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 7 |
| HBD: | 4 | FractionCSP3: | 0.16 |
| AlogP: | 2.99 | Num_rotatable_bonds: | 6 |
| MolWt: | 614.52 | Num_heavy_atoms: | 45 |
| TPSA: | 199.24 | NumAromaticRings: | 6 |
Unique Aglycone
AD10011
Formula: C27H14O9
Smiles:
O=c1ccc2ccc(Oc3cc4ccc(O)c(-c5c(O)ccc6ccc(=O)oc56)c4oc3=O)cc2o1| HBA: | 9 | RingCount: | 6 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 4.88 | Num_rotatable_bonds: | 3 |
| MolWt: | 482.4 | Num_heavy_atoms: | 36 |
| TPSA: | 140.32 | NumAromaticRings: | 6 |
