Glycoside
GD000450
Name:
NoneFormula:
C43H54O16N2Smiles:
CO[C@@H]1[C@H](O)[C@H](O)[C@H](Oc2ccc3cc(NC(=O)CCCCCCC(=O)Nc4cc5ccc(O[C@@H]6OC(C)(C)[C@H](OC)[C@H](O)[C@H]6O)c(C)c5oc4=O)c(=O)oc3c2)OC1(C)CAglycone:
Cc1c(O)ccc2cc(NC(=O)CCCCCCC(=O)Nc3cc4ccc(O)cc4oc3=O)c(=O)oc12Sugarmoiety:
COC1C(O)C(O)C(O)OC1(C)C.COC1C(O)C(O)C(O)OC1(C)COther Identifiers
Properties
| HBA: | 18 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.53 |
| AlogP: | 3.63 | Num_rotatable_bonds: | 15 |
| MolWt: | 854.9 | Num_heavy_atoms: | 61 |
| TPSA: | 254.92 | NumAromaticRings: | 4 |
Unique Aglycone
AD00500
Formula: C27H26O8N2
Smiles:
Cc1c(O)ccc2cc(NC(=O)CCCCCCC(=O)Nc3cc4ccc(O)cc4oc3=O)c(=O)oc12| HBA: | 10 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.26 |
| AlogP: | 4.54 | Num_rotatable_bonds: | 9 |
| MolWt: | 506.51 | Num_heavy_atoms: | 37 |
| TPSA: | 159.08 | NumAromaticRings: | 4 |
