Glycoside
GD114290
Name:
Abutilin BFormula:
C29H24O12Smiles:
O=C(C=Cc1ccc(O)cc1)Oc1cc(O)c2c(=O)c(O)c(-c3ccc(OC4OCC(O)C(O)C4O)cc3)oc2c1Aglycone:
O=C(C=Cc1ccc(O)cc1)Oc1cc(O)c2c(=O)c(O)c(-c3ccc(O)cc3)oc2c1Sugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.17 |
| AlogP: | 2.01 | Num_rotatable_bonds: | 6 |
| MolWt: | 564.5 | Num_heavy_atoms: | 41 |
| TPSA: | 196.35 | NumAromaticRings: | 4 |
Unique Aglycone
AD44961
Formula: C24H16O8
Smiles:
O=C(C=Cc1ccc(O)cc1)Oc1cc(O)c2c(=O)c(O)c(-c3ccc(O)cc3)oc2c1| HBA: | 8 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.0 |
| AlogP: | 3.9 | Num_rotatable_bonds: | 4 |
| MolWt: | 432.38 | Num_heavy_atoms: | 32 |
| TPSA: | 137.43 | NumAromaticRings: | 4 |
