Glycoside
GD142524
Name:
FungimycinFormula:
C59H86O17N2Smiles:
CNc1ccc(C(=O)CC(O)CCC(C)C2=C(C)C=CC=CC=CC=CC=CC=CC=CC(OC3OC(C)C(N)C(O)C3O)CC(O)C(C)C(O)CC(=O)CC(=O)CC(O)CC(O)CC(O)CC(O)CC(O)CC(=O)O2)cc1Aglycone:
CNc1ccc(C(=O)CC(O)CCC(C)C2=C(C)C=CC=CC=CC=CC=CC=CC=CC(O)CC(O)C(C)C(O)CC(=O)CC(=O)CC(O)CC(O)CC(O)CC(O)CC(O)CC(=O)O2)cc1Sugarmoiety:
CC1OC(O)C(O)C(O)C1NOther Identifiers
Properties
| HBA: | 19 | RingCount: | 3 |
| HBD: | 13 | FractionCSP3: | 0.56 |
| AlogP: | 3.79 | Num_rotatable_bonds: | 10 |
| MolWt: | 1095.33 | Num_heavy_atoms: | 78 |
| TPSA: | 336.32 | NumAromaticRings: | 1 |
Unique Aglycone
AD57350
Formula: C53H75O14N
Smiles:
CNc1ccc(C(=O)CC(O)CCC(C)C2=C(C)C=CC=CC=CC=CC=CC=CC=CC(O)CC(O)C(C)C(O)CC(=O)CC(=O)CC(O)CC(O)CC(O)CC(O)CC(O)CC(=O)O2)cc1| HBA: | 15 | RingCount: | 2 |
| HBD: | 10 | FractionCSP3: | 0.51 |
| AlogP: | 4.97 | Num_rotatable_bonds: | 8 |
| MolWt: | 950.18 | Num_heavy_atoms: | 68 |
| TPSA: | 271.61 | NumAromaticRings: | 1 |
