Glycoside
GD140170
Name:
Partricin AFormula:
C59H86O19N2Smiles:
CNc1ccc(C(=O)CC(O)CCC(C)C2OC(=O)CC(O)CC(=O)CC(O)CC(O)CC(O)CC(O)CC3(O)CC(O)C(C(=O)O)C(CC(OC4OC(C)C(O)C(N)C4O)C=CC=CC=CC=CC=CC=CC=CC2C)O3)cc1Aglycone:
CNc1ccc(C(=O)CC(O)CCC(C)C2OC(=O)CC(O)CC(=O)CC(O)CC(O)CC(O)CC(O)CC3(O)CC(O)C(C(=O)O)C(CC(O)C=CC=CC=CC=CC=CC=CC=CC2C)O3)cc1Sugarmoiety:
CC1OC(O)C(O)C(N)C1OOther Identifiers
Properties
| HBA: | 21 | RingCount: | 4 |
| HBD: | 14 | FractionCSP3: | 0.59 |
| AlogP: | 2.75 | Num_rotatable_bonds: | 11 |
| MolWt: | 1127.33 | Num_heavy_atoms: | 80 |
| TPSA: | 365.78 | NumAromaticRings: | 1 |
Unique Aglycone
AD56515
Formula: C53H75O16N
Smiles:
CNc1ccc(C(=O)CC(O)CCC(C)C2OC(=O)CC(O)CC(=O)CC(O)CC(O)CC(O)CC(O)CC3(O)CC(O)C(C(=O)O)C(CC(O)C=CC=CC=CC=CC=CC=CC=CC2C)O3)cc1| HBA: | 17 | RingCount: | 3 |
| HBD: | 11 | FractionCSP3: | 0.55 |
| AlogP: | 3.93 | Num_rotatable_bonds: | 9 |
| MolWt: | 982.17 | Num_heavy_atoms: | 70 |
| TPSA: | 301.07 | NumAromaticRings: | 1 |
