Glycoside
GD000403
Name:
RADULIGNANFormula:
C26H34O13Smiles:
COc1cc([C@@H]2Oc3c(OC)cc([C@H](O)[C@H](O)CO[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)cc3[C@H]2CO)ccc1OAglycone:
COc1cc(C2Oc3c(OC)cc(C(O)C(O)CO)cc3C2CO)ccc1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.54 |
| AlogP: | -1.17 | Num_rotatable_bonds: | 10 |
| MolWt: | 554.55 | Num_heavy_atoms: | 39 |
| TPSA: | 207.99 | NumAromaticRings: | 2 |
Unique Aglycone
AD00453
Formula: C20H24O8
Smiles:
COc1cc(C2Oc3c(OC)cc(C(O)C(O)CO)cc3C2CO)ccc1O| HBA: | 8 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.4 |
| AlogP: | 1.01 | Num_rotatable_bonds: | 7 |
| MolWt: | 392.4 | Num_heavy_atoms: | 28 |
| TPSA: | 128.84 | NumAromaticRings: | 2 |
