Glycoside
GD020531
Name:
NoneFormula:
C52H56O18N2Smiles:
COc1cc(C(=O)Nc2cc3ccc(O[C@@H]4OC(C)(C)[C@H](OC)[C@H](O)[C@H]4O)c(C)c3oc2=O)cc(-c2cc(OC)cc(C(=O)Nc3cc4ccc(O[C@@H]5OC(C)(C)[C@H](OC)[C@H](O)[C@H]5O)c(C)c4oc3=O)c2)c1Aglycone:
COc1cc(C(=O)Nc2cc3ccc(O)c(C)c3oc2=O)cc(-c2cc(OC)cc(C(=O)Nc3cc4ccc(O)c(C)c4oc3=O)c2)c1Sugarmoiety:
COC1C(O)C(O)C(O)OC1(C)C.COC1C(O)C(O)C(O)OC1(C)COther Identifiers
Properties
| HBA: | 20 | RingCount: | 8 |
| HBD: | 6 | FractionCSP3: | 0.38 |
| AlogP: | 5.21 | Num_rotatable_bonds: | 13 |
| MolWt: | 997.02 | Num_heavy_atoms: | 72 |
| TPSA: | 273.38 | NumAromaticRings: | 6 |
Unique Aglycone
AD14169
Formula: C36H28O10N2
Smiles:
COc1cc(C(=O)Nc2cc3ccc(O)c(C)c3oc2=O)cc(-c2cc(OC)cc(C(=O)Nc3cc4ccc(O)c(C)c4oc3=O)c2)c1| HBA: | 12 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.11 |
| AlogP: | 6.12 | Num_rotatable_bonds: | 7 |
| MolWt: | 648.62 | Num_heavy_atoms: | 48 |
| TPSA: | 177.54 | NumAromaticRings: | 6 |
