Glycoside
GD118731
Name:
NoneFormula:
C33H42O20Smiles:
COc1cc(C2=C(OC3OC(COC4OC(C)C(O)C(O)C4O)C(O)C(O)C3OC3OCC(O)C(O)C3O)C=C3[C](O)C=C(O)C=C3[OH+]2)cc(O)c1OAglycone:
COc1cc(C2=C(O)C=C3C(=CC(O)=CC3O)[OH+]2)cc(O)c1OSugarmoiety:
CC1OC(OCC2OC(O)C(OC3OCC(O)C(O)C3O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 6 |
| HBD: | 13 | FractionCSP3: | 0.55 |
| AlogP: | -2.82 | Num_rotatable_bonds: | 9 |
| MolWt: | 758.68 | Num_heavy_atoms: | 53 |
| TPSA: | 320.17 | NumAromaticRings: | 1 |
Unique Aglycone
AD47502
Formula: C16H15O7
Smiles:
COc1cc(C2=C(O)C=C3C(=CC(O)=CC3O)[OH+]2)cc(O)c1O| HBA: | 7 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.12 |
| AlogP: | 2.07 | Num_rotatable_bonds: | 2 |
| MolWt: | 319.29 | Num_heavy_atoms: | 23 |
| TPSA: | 123.18 | NumAromaticRings: | 1 |
