Glycoside
GD144125
Name:
kirromycin cFormula:
C43H60O11N2Smiles:
CC=CC=CC1OC(O)(C(CC)C(O)=NCC=CC=C(C)C(OC)C(C)C2OC(C=CC=CC=C(C)C(=O)c3c(O)ccnc3O)C(O)C2O)CC(O)C1(C)CAglycone:
C=CC=CC=C(C)C(=O)c1c(O)ccnc1O.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: | 0.51 |
| AlogP: | 5.36 | Num_rotatable_bonds: | 17 |
| MolWt: | 780.96 | Num_heavy_atoms: | 56 |
| TPSA: | 211.62 | NumAromaticRings: | 1 |
Unique Aglycone
AD48655
Formula: C13H13O3N
Smiles:
C=CC=CC=C(C)C(=O)c1c(O)ccnc1O| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.08 |
| AlogP: | 2.36 | Num_rotatable_bonds: | 4 |
| MolWt: | 231.25 | Num_heavy_atoms: | 17 |
| TPSA: | 70.42 | NumAromaticRings: | 1 |
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 |
