Glycoside
GD038667
Name:
calicheamicin t0Formula:
C24H28O9N2S3Smiles:
COC(=O)NC1=C2C(=CCSSSC)[C@](O)(C#CC=CC#C[C@H]2O[C@H]2O[C@H](C)[C@@H](NO)[C@@H](O)[C@H]2O)CC1=OAglycone:
COC(=O)NC1=C2C(=CCSSSC)C(O)(C#CC=CC#CC2O)CC1=OSugarmoiety:
CC1OC(O)C(O)C(O)C1NOOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.5 |
| AlogP: | 0.66 | Num_rotatable_bonds: | 8 |
| MolWt: | 584.69 | Num_heavy_atoms: | 38 |
| TPSA: | 166.81 | NumAromaticRings: | 0 |
Unique Aglycone
AD01088
Formula: C18H17O5NS3
Smiles:
COC(=O)NC1=C2C(=CCSSSC)C(O)(C#CC=CC#CC2O)CC1=O| HBA: | 6 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.33 |
| AlogP: | 1.82 | Num_rotatable_bonds: | 5 |
| MolWt: | 423.54 | Num_heavy_atoms: | 27 |
| TPSA: | 95.86 | NumAromaticRings: | 0 |
