Glycoside
GD000970
Name:
NoneFormula:
C42H37O11N5Cl2Smiles:
CC(=O)OC[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)c1n[nH]c2nc3nc4c(c(-c5ccc(Cl)cc5)c3c(=O)n12)CCCC4=Cc1ccc(Cl)cc1Aglycone:
O=c1c2c(-c3ccc(Cl)cc3)c3c(nc2nc2[nH]ncn12)C(=Cc1ccc(Cl)cc1)CCC3Sugarmoiety:
CC(=O)OCC(OC(C)=O)C(OC(C)=O)C(OC(C)=O)C(O)OC(C)=OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 6 |
| HBD: | 1 | FractionCSP3: | 0.33 |
| AlogP: | 5.78 | Num_rotatable_bonds: | 12 |
| MolWt: | 834.67 | Num_heavy_atoms: | 58 |
| TPSA: | 207.44 | NumAromaticRings: | 5 |
Unique Aglycone
AD01011
Formula: C27H17ON5Cl2
Smiles:
O=c1c2c(-c3ccc(Cl)cc3)c3c(nc2nc2[nH]ncn12)C(=Cc1ccc(Cl)cc1)CCC3| HBA: | 6 | RingCount: | 6 |
| HBD: | 1 | FractionCSP3: | 0.12 |
| AlogP: | 5.82 | Num_rotatable_bonds: | 2 |
| MolWt: | 474.35 | Num_heavy_atoms: | 33 |
| TPSA: | 75.94 | NumAromaticRings: | 5 |
