Glycoside
GD014380
Name:
NoneFormula:
C44H53O17N5Smiles:
C=CCO[C@@H]1O[C@H](Cn2cc(CCCC(=O)N[C@@H]3C[C@H](O[C@@H]4C[C@](O)(C(=O)CO)Cc5c(O)c6c(c(O)c54)C(=O)c4c(OC)cccc4C6=O)O[C@H](C)[C@H]3O)nn2)[C@H](O)[C@H](O)[C@H]1NC(C)=OAglycone:
COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)CC3OC1CC(NC(=O)CCCc2cn(C)nn2)C(O)C(C)O1Sugarmoiety:
C=CCOC1OC(O)C(O)C(O)C1NC(C)=OOther Identifiers
Properties
| HBA: | 22 | RingCount: | 7 |
| HBD: | 9 | FractionCSP3: | 0.52 |
| AlogP: | -1.07 | Num_rotatable_bonds: | 16 |
| MolWt: | 923.93 | Num_heavy_atoms: | 66 |
| TPSA: | 327.88 | NumAromaticRings: | 3 |
Unique Aglycone
AD10578
Formula: C34H38O12N4
Smiles:
COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)CC3OC1CC(NC(=O)CCCc2cn(C)nn2)C(O)C(C)O1| HBA: | 16 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.47 |
| AlogP: | 0.31 | Num_rotatable_bonds: | 10 |
| MolWt: | 694.69 | Num_heavy_atoms: | 50 |
| TPSA: | 239.86 | NumAromaticRings: | 3 |
