Glycoside
GD137700
Name:
GesnerinFormula:
C21H23O9Smiles:
Oc1ccc(C2C=Cc3c(cc(O)cc3OC3OC(C[OH2+])C(O)C(O)C3O)O2)cc1Aglycone:
Oc1ccc(C2C=Cc3c(O)cc(O)cc3O2)cc1Sugarmoiety:
OC1OC(C[OH2+])C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.33 |
| AlogP: | 0.16 | Num_rotatable_bonds: | 4 |
| MolWt: | 419.41 | Num_heavy_atoms: | 30 |
| TPSA: | 151.74 | NumAromaticRings: | 2 |
Unique Aglycone
AD55620
Formula: C15H12O4
Smiles:
Oc1ccc(C2C=Cc3c(O)cc(O)cc3O2)cc1| HBA: | 4 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.07 |
| AlogP: | 2.95 | Num_rotatable_bonds: | 1 |
| MolWt: | 256.26 | Num_heavy_atoms: | 19 |
| TPSA: | 69.92 | NumAromaticRings: | 2 |
