Glycoside
GD150646
Name:
NoneFormula:
C36H34O17Smiles:
OCC1OC(OC2=C(c3ccc(O)c(O)c3)[OH+][C]3C(=C2)C(O)=CC(O)=C3C2c3c(O)cc(O)cc3OC(c3ccc(O)c(O)c3)C2O)C(O)C(O)C1OAglycone:
OC1=CC(O)=C(C2c3c(O)cc(O)cc3OC(c3ccc(O)c(O)c3)C2O)C2[OH+]C(c3ccc(O)c(O)c3)=C(O)C=C12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 7 |
| HBD: | 14 | FractionCSP3: | 0.25 |
| AlogP: | 1.52 | Num_rotatable_bonds: | 6 |
| MolWt: | 738.65 | Num_heavy_atoms: | 53 |
| TPSA: | 303.48 | NumAromaticRings: | 3 |
Unique Aglycone
AD60153
Formula: C30H25O12
Smiles:
OC1=CC(O)=C(C2c3c(O)cc(O)cc3OC(c3ccc(O)c(O)c3)C2O)C2[OH+]C(c3ccc(O)c(O)c3)=C(O)C=C12| HBA: | 12 | RingCount: | 6 |
| HBD: | 11 | FractionCSP3: | 0.13 |
| AlogP: | 3.53 | Num_rotatable_bonds: | 3 |
| MolWt: | 577.52 | Num_heavy_atoms: | 42 |
| TPSA: | 224.33 | NumAromaticRings: | 3 |
