Glycoside
GD001519
Name:
NoneFormula:
C27H29O14BrSmiles:
C[C@@H]1O[C@H](O[C@@H]2[C@H](Oc3cc(O)c4c(=O)c(Br)c(-c5ccc(O)cc5)oc4c3)O[C@H](CO)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1OAglycone:
O=c1c(Br)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12Sugarmoiety:
CC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.44 |
| AlogP: | -0.34 | Num_rotatable_bonds: | 6 |
| MolWt: | 657.42 | Num_heavy_atoms: | 42 |
| TPSA: | 228.97 | NumAromaticRings: | 3 |
Unique Aglycone
AD01517
Formula: C15H9O5Br
Smiles:
O=c1c(Br)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12| HBA: | 5 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | 3.34 | Num_rotatable_bonds: | 1 |
| MolWt: | 349.14 | Num_heavy_atoms: | 21 |
| TPSA: | 90.9 | NumAromaticRings: | 3 |
