Glycoside
GD126787
Name:
30-deoxy-kirromycinFormula:
C43H62O11N2Smiles:
CC=CC=CC1OC(O)(C(CC)C(O)=NCC=CC=C(C)C(OC)C(C)C2OC(C=CC=CC=C(C)C(=O)C3=C(O)CCN=C3O)C(O)C2O)CC(O)C1(C)CAglycone:
C=CC=CC=C(C)C(=O)C1=C(O)CCN=C1O.CC=CC=CC1OC(O)(C(CC)C(O)=NCC=CC=C(C)C(CC)OC)CC(O)C1(C)CSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.56 |
| AlogP: | 5.41 | Num_rotatable_bonds: | 17 |
| MolWt: | 782.97 | Num_heavy_atoms: | 56 |
| TPSA: | 211.09 | NumAromaticRings: | 0 |
Unique Aglycone
AD51313
Formula: C13H15O3N
Smiles:
C=CC=CC=C(C)C(=O)C1=C(O)CCN=C1O| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.23 |
| AlogP: | 2.42 | Num_rotatable_bonds: | 4 |
| MolWt: | 233.27 | Num_heavy_atoms: | 17 |
| TPSA: | 69.89 | NumAromaticRings: | 0 |
AD51314
Formula: C26H43O5N
Smiles:
CC=CC=CC1OC(O)(C(CC)C(O)=NCC=CC=C(C)C(CC)OC)CC(O)C1(C)C| HBA: | 6 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.65 |
| AlogP: | 4.89 | Num_rotatable_bonds: | 11 |
| MolWt: | 449.63 | Num_heavy_atoms: | 32 |
| TPSA: | 91.51 | NumAromaticRings: | 0 |
