Glycoside
GD135468
Name:
NoneFormula:
C26H27O14Smiles:
COc1cc(C2Oc3cc(O)cc4c3C(=C2OC2OC(C[OH2+])C(O)C(O)C2O)C=C(C(=O)O)O4)cc(OC)c1OAglycone:
COc1cc(C2Oc3cc(O)cc4c3C(=C2O)C=C(C(=O)O)O4)cc(OC)c1OSugarmoiety:
OC1OC(C[OH2+])C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.35 |
| AlogP: | -0.13 | Num_rotatable_bonds: | 7 |
| MolWt: | 563.49 | Num_heavy_atoms: | 40 |
| TPSA: | 216.73 | NumAromaticRings: | 2 |
Unique Aglycone
AD51668
Formula: C20H16O9
Smiles:
COc1cc(C2Oc3cc(O)cc4c3C(=C2O)C=C(C(=O)O)O4)cc(OC)c1O| HBA: | 9 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.15 |
| AlogP: | 2.88 | Num_rotatable_bonds: | 4 |
| MolWt: | 400.34 | Num_heavy_atoms: | 29 |
| TPSA: | 134.91 | NumAromaticRings: | 2 |
