Glycoside
GD016292
Name:
NoneFormula:
C51H52O17N2Smiles:
CO[C@@H]1[C@H](O)[C@H](O)[C@H](Oc2ccc3cc(NC(=O)c4ccc5c(c4)-c4cccc(C(=O)Nc6cc7ccc(O[C@@H]8OC(C)(C)[C@H](OC)[C@H](O)[C@H]8O)c(C)c7oc6=O)c4OC5)c(=O)oc3c2C)OC1(C)CAglycone:
Cc1c(O)ccc2cc(NC(=O)c3ccc4c(c3)-c3cccc(C(=O)Nc5cc6ccc(O)c(C)c6oc5=O)c3OC4)c(=O)oc12Sugarmoiety:
COC1C(O)C(O)C(O)OC1(C)C.COC1C(O)C(O)C(O)OC1(C)COther Identifiers
Properties
| HBA: | 19 | RingCount: | 9 |
| HBD: | 6 | FractionCSP3: | 0.37 |
| AlogP: | 5.08 | Num_rotatable_bonds: | 10 |
| MolWt: | 964.97 | Num_heavy_atoms: | 70 |
| TPSA: | 264.15 | NumAromaticRings: | 6 |
Unique Aglycone
AD11755
Formula: C35H24O9N2
Smiles:
Cc1c(O)ccc2cc(NC(=O)c3ccc4c(c3)-c3cccc(C(=O)Nc5cc6ccc(O)c(C)c6oc5=O)c3OC4)c(=O)oc12| HBA: | 11 | RingCount: | 7 |
| HBD: | 4 | FractionCSP3: | 0.09 |
| AlogP: | 5.99 | Num_rotatable_bonds: | 4 |
| MolWt: | 616.58 | Num_heavy_atoms: | 46 |
| TPSA: | 168.31 | NumAromaticRings: | 6 |
