Glycoside
GD020432
Name:
NoneFormula:
C41H37O11N5Cl2Smiles:
CC(=O)OC[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H](C=NNc1nc2nc3c(c(-c4ccc(Cl)cc4)c2c(=O)n1OC(C)=O)CCCC3=Cc1ccc(Cl)cc1)OC(C)=OAglycone:
C=NNc1nc2nc3c(c(-c4ccc(Cl)cc4)c2c(=O)n1OC(C)=O)CCCC3=Cc1ccc(Cl)cc1Sugarmoiety:
CC(=O)OCC(OC(C)=O)C(OC(C)=O)C(O)OC(C)=OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 0.31 |
| AlogP: | 5.37 | Num_rotatable_bonds: | 13 |
| MolWt: | 822.65 | Num_heavy_atoms: | 57 |
| TPSA: | 203.67 | NumAromaticRings: | 4 |
Unique Aglycone
AD14108
Formula: C29H21O3N5Cl2
Smiles:
C=NNc1nc2nc3c(c(-c4ccc(Cl)cc4)c2c(=O)n1OC(C)=O)CCCC3=Cc1ccc(Cl)cc1| HBA: | 8 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 0.15 |
| AlogP: | 5.64 | Num_rotatable_bonds: | 5 |
| MolWt: | 534.4 | Num_heavy_atoms: | 37 |
| TPSA: | 98.47 | NumAromaticRings: | 4 |
