Glycoside
GD028684
Name:
NoneFormula:
C31H30O15Smiles:
COc1cc(C2Oc3cc(-c4oc5cc(O)cc(O)c5c(=O)c4O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)ccc3OC2CO)ccc1OAglycone:
COc1cc(C2Oc3cc(-c4oc5cc(O)cc(O)c5c(=O)c4O)ccc3OC2CO)ccc1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 6 |
| HBD: | 8 | FractionCSP3: | 0.32 |
| AlogP: | 0.64 | Num_rotatable_bonds: | 7 |
| MolWt: | 642.57 | Num_heavy_atoms: | 46 |
| TPSA: | 238.2 | NumAromaticRings: | 4 |
Unique Aglycone
AD18714
Formula: C25H20O10
Smiles:
COc1cc(C2Oc3cc(-c4oc5cc(O)cc(O)c5c(=O)c4O)ccc3OC2CO)ccc1O| HBA: | 10 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.16 |
| AlogP: | 3.16 | Num_rotatable_bonds: | 4 |
| MolWt: | 480.43 | Num_heavy_atoms: | 35 |
| TPSA: | 159.05 | NumAromaticRings: | 4 |
