Glycoside
GD136256
Name:
NoneFormula:
C24H22O13Smiles:
O=C(O)[C]1C=C2C(OC3OC(CO)C(O)C(O)C3O)=C(c3ccc(O)c(O)c3)[OH+]c3cc(O)cc(c32)O1Aglycone:
O=C(O)C1C=C2C(O)=C(c3ccc(O)c(O)c3)[OH+]c3cc(O)cc(c32)O1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 9 | FractionCSP3: | 0.25 |
| AlogP: | -0.36 | Num_rotatable_bonds: | 5 |
| MolWt: | 518.43 | Num_heavy_atoms: | 37 |
| TPSA: | 219.4 | NumAromaticRings: | 2 |
Unique Aglycone
AD50562
Formula: C18H13O8
Smiles:
O=C(O)C1C=C2C(O)=C(c3ccc(O)c(O)c3)[OH+]c3cc(O)cc(c32)O1| HBA: | 8 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.06 |
| AlogP: | 2.21 | Num_rotatable_bonds: | 2 |
| MolWt: | 357.29 | Num_heavy_atoms: | 26 |
| TPSA: | 140.25 | NumAromaticRings: | 2 |
