Glycoside
GD020189
Name:
NoneFormula:
C21H22O12Smiles:
OC[C@@H]1OC(OC2=C(c3cc(O)c(O)c(O)c3)Oc3cc(O)cc(O)c3C2)[C@H](O)[C@H](O)[C@H]1OAglycone:
OC1=C(c2cc(O)c(O)c(O)c2)Oc2cc(O)cc(O)c2C1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 9 | FractionCSP3: | 0.33 |
| AlogP: | -0.67 | Num_rotatable_bonds: | 4 |
| MolWt: | 466.4 | Num_heavy_atoms: | 33 |
| TPSA: | 209.76 | NumAromaticRings: | 2 |
Unique Aglycone
AD13979
Formula: C15H12O7
Smiles:
OC1=C(c2cc(O)c(O)c(O)c2)Oc2cc(O)cc(O)c2C1| HBA: | 7 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.07 |
| AlogP: | 2.08 | Num_rotatable_bonds: | 1 |
| MolWt: | 304.25 | Num_heavy_atoms: | 22 |
| TPSA: | 130.61 | NumAromaticRings: | 2 |
