Glycoside
GD133737
Name:
NoneFormula:
C28H35O16Smiles:
COc1c(O)cc(C2Oc3cc([OH2+])cc(O)c3C=C2OC2OC(COC3OC(C)C(O)C(O)C3O)C(O)C(O)C2O)cc1OAglycone:
COc1c(O)cc(C2Oc3cc([OH2+])cc(O)c3C=C2O)cc1OSugarmoiety:
CC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 5 |
| HBD: | 11 | FractionCSP3: | 0.5 |
| AlogP: | -1.61 | Num_rotatable_bonds: | 7 |
| MolWt: | 627.57 | Num_heavy_atoms: | 44 |
| TPSA: | 260.35 | NumAromaticRings: | 2 |
Unique Aglycone
AD54113
Formula: C16H15O7
Smiles:
COc1c(O)cc(C2Oc3cc([OH2+])cc(O)c3C=C2O)cc1O| HBA: | 7 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.12 |
| AlogP: | 2.28 | Num_rotatable_bonds: | 2 |
| MolWt: | 319.29 | Num_heavy_atoms: | 23 |
| TPSA: | 122.28 | NumAromaticRings: | 2 |
