Glycoside
GD114466
Name:
NoneFormula:
C36H39O19Smiles:
O=C(C=Cc1ccc(O)cc1)OCC1OC(OC2=C(c3cc(O)c(O)c(O)c3)OC3C=C(O)C=C(OC4OC(C[OH2+])C(O)C(O)C4O)C3=C2)C(O)C(O)C1OAglycone:
COC(=O)C=Cc1ccc(O)cc1.OC1=CC2OC(c3cc(O)c(O)c(O)c3)=C(O)C=C2C(O)=C1Sugarmoiety:
OC1OC(C[OH2+])C(O)C(O)C1O.OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 6 |
| HBD: | 13 | FractionCSP3: | 0.36 |
| AlogP: | -1.53 | Num_rotatable_bonds: | 10 |
| MolWt: | 775.69 | Num_heavy_atoms: | 55 |
| TPSA: | 317.88 | NumAromaticRings: | 2 |
Unique Aglycone
AD00020
Formula: C10H10O3
Smiles:
COC(=O)C=Cc1ccc(O)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.1 |
| AlogP: | 1.58 | Num_rotatable_bonds: | 2 |
| MolWt: | 178.19 | Num_heavy_atoms: | 13 |
| TPSA: | 46.53 | NumAromaticRings: | 1 |
AD45076
Formula: C15H12O7
Smiles:
OC1=CC2OC(c3cc(O)c(O)c(O)c3)=C(O)C=C2C(O)=C1| HBA: | 7 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.07 |
| AlogP: | 2.25 | Num_rotatable_bonds: | 1 |
| MolWt: | 304.25 | Num_heavy_atoms: | 22 |
| TPSA: | 130.61 | NumAromaticRings: | 1 |
