Glycoside
GD133905
Name:
awobaninFormula:
C36H39O19Smiles:
O=C(C=Cc1ccc(O)cc1)OCC1OC(OC2=Cc3c(cc(O)cc3OC3OC(C[OH2+])C(O)C(O)C3O)OC2c2cc(O)c(O)c(O)c2)C(O)C(O)C1OAglycone:
COC(=O)C=Cc1ccc(O)cc1.OC1=Cc2c(O)cc(O)cc2OC1c1cc(O)c(O)c(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: | -1.32 | Num_rotatable_bonds: | 10 |
| MolWt: | 775.69 | Num_heavy_atoms: | 55 |
| TPSA: | 317.88 | NumAromaticRings: | 3 |
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 |
AD45104
Formula: C15H12O7
Smiles:
OC1=Cc2c(O)cc(O)cc2OC1c1cc(O)c(O)c(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: | 2 |
