Glycoside
GD033186
Name:
NoneFormula:
C29H38O13Smiles:
COc1cc(CC2C(=O)OCC2Cc2cc(OC)c(O)c(C(CO)CO)c2)ccc1OC1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1OAglycone:
COc1cc(CC2C(=O)OCC2Cc2cc(OC)c(O)c(C(CO)CO)c2)ccc1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.55 |
| AlogP: | -0.77 | Num_rotatable_bonds: | 12 |
| MolWt: | 594.61 | Num_heavy_atoms: | 42 |
| TPSA: | 204.83 | NumAromaticRings: | 2 |
Unique Aglycone
AD21203
Formula: C23H28O8
Smiles:
COc1cc(CC2C(=O)OCC2Cc2cc(OC)c(O)c(C(CO)CO)c2)ccc1O| HBA: | 8 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.43 |
| AlogP: | 1.76 | Num_rotatable_bonds: | 9 |
| MolWt: | 432.47 | Num_heavy_atoms: | 31 |
| TPSA: | 125.68 | NumAromaticRings: | 2 |
