Glycoside
GD033066
Name:
NoneFormula:
C42H42O17Smiles:
COC1=Cc2cc(OC)c(O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O[C@@H]3O[C@H](COC(=O)C=Cc4ccc(O)c(O)c4)[C@H](O)[C@H](O)[C@H]3O)c3c(-c4ccccc4)ccc(c23)C1=OAglycone:
COC(=O)C=Cc1ccc(O)c(O)c1.COC1=Cc2cc(OC)c(O)c3c(-c4ccccc4)ccc(c23)C1=OSugarmoiety:
OCC1OC(O)C(OC2OC(O)C(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 7 |
| HBD: | 8 | FractionCSP3: | 0.33 |
| AlogP: | 1.38 | Num_rotatable_bonds: | 12 |
| MolWt: | 818.78 | Num_heavy_atoms: | 59 |
| TPSA: | 260.59 | NumAromaticRings: | 4 |
Unique Aglycone
AD03431
Formula: C10H10O4
Smiles:
COC(=O)C=Cc1ccc(O)c(O)c1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.1 |
| AlogP: | 1.28 | Num_rotatable_bonds: | 2 |
| MolWt: | 194.19 | Num_heavy_atoms: | 14 |
| TPSA: | 66.76 | NumAromaticRings: | 1 |
AD21131
Formula: C21H16O4
Smiles:
COC1=Cc2cc(OC)c(O)c3c(-c4ccccc4)ccc(c23)C1=O| HBA: | 4 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.1 |
| AlogP: | 4.4 | Num_rotatable_bonds: | 3 |
| MolWt: | 332.36 | Num_heavy_atoms: | 25 |
| TPSA: | 55.76 | NumAromaticRings: | 3 |
