Glycoside
GD158141
Name:
NoneFormula:
C36H34O16Smiles:
OCC1OC(OC2=Cc3c(O)cc(O)c(C4c5c(O)cc(O)cc5OC(c5ccc(O)c(O)c5)C4O)c3[OH+]C2=C2C=C[C](O)C=C2)C(O)C(O)C1OAglycone:
OC1=Cc2c(O)cc(O)c(C3c4c(O)cc(O)cc4OC(c4ccc(O)c(O)c4)C3O)c2[OH+]C1=C1C=CC(O)C=C1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 7 |
| HBD: | 13 | FractionCSP3: | 0.25 |
| AlogP: | 1.24 | Num_rotatable_bonds: | 5 |
| MolWt: | 722.65 | Num_heavy_atoms: | 52 |
| TPSA: | 283.25 | NumAromaticRings: | 3 |
Unique Aglycone
AD62443
Formula: C30H25O11
Smiles:
OC1=Cc2c(O)cc(O)c(C3c4c(O)cc(O)cc4OC(c4ccc(O)c(O)c4)C3O)c2[OH+]C1=C1C=CC(O)C=C1| HBA: | 11 | RingCount: | 6 |
| HBD: | 10 | FractionCSP3: | 0.13 |
| AlogP: | 3.44 | Num_rotatable_bonds: | 2 |
| MolWt: | 561.52 | Num_heavy_atoms: | 41 |
| TPSA: | 204.1 | NumAromaticRings: | 3 |
