Glycoside
GD123560
Name:
KedarcidinFormula:
C54H60O16N3ClSmiles:
COc1c(OC(C)C)cc2cc(O)c(C(O)=NC3Cc4ccc(c(Cl)n4)OC4C=C5C#CC(=CC#CC6OC56C4OC4CC(C)(O)C(O)C(C)O4)C(OC4CC(O)C(N(C)C)C(C)O4)COC3=O)cc2c1OCAglycone:
COc1c(OC(C)C)cc2cc(O)c(C(O)=NC3Cc4ccc(c(Cl)n4)OC4C=C5C#CC(=CC#CC6OC56C4O)C(OC4CC(O)C(N(C)C)C(C)O4)COC3=O)cc2c1OCSugarmoiety:
CC1OC(O)CC(C)(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 10 |
| HBD: | 5 | FractionCSP3: | 0.53 |
| AlogP: | 4.09 | Num_rotatable_bonds: | 11 |
| MolWt: | 1030.52 | Num_heavy_atoms: | 73 |
| TPSA: | 242.31 | NumAromaticRings: | 3 |
Unique Aglycone
AD49883
Formula: C47H48O13N3Cl
Smiles:
COc1c(OC(C)C)cc2cc(O)c(C(O)=NC3Cc4ccc(c(Cl)n4)OC4C=C5C#CC(=CC#CC6OC56C4O)C(OC4CC(O)C(N(C)C)C(C)O4)COC3=O)cc2c1OC| HBA: | 16 | RingCount: | 9 |
| HBD: | 4 | FractionCSP3: | 0.46 |
| AlogP: | 3.81 | Num_rotatable_bonds: | 9 |
| MolWt: | 886.35 | Num_heavy_atoms: | 63 |
| TPSA: | 203.62 | NumAromaticRings: | 3 |
