Glycoside
GD003183
Name:
NYSTATINFormula:
C47H75O17NSmiles:
C[C@H]1C=CC=CCCC=CC=CC=CC=C[C@@H](O[C@@H]2O[C@H](C)[C@H](O)[C@H](N)[C@H]2O)C[C@@H]2O[C@@](O)(C[C@H](O)[C@@H]2C(=O)O)C[C@@H](O)[C@@H](O)CC[C@@H](O)C[C@@H](O)C[C@@H](O)CC(=O)O[C@@H](C)[C@H](C)[C@H]1OAglycone:
CC1C=CC=CCCC=CC=CC=CC=CC(O)CC2OC(O)(CC(O)C(O)CCC(O)CC(O)CC(O)CC(=O)OC(C)C(C)C1O)CC(O)C2C(=O)OSugarmoiety:
CC1OC(O)C(O)C(N)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 3 |
| HBD: | 13 | FractionCSP3: | 0.7 |
| AlogP: | 0.94 | Num_rotatable_bonds: | 3 |
| MolWt: | 926.11 | Num_heavy_atoms: | 65 |
| TPSA: | 319.61 | NumAromaticRings: | 0 |
Unique Aglycone
AD01090
Formula: C41H64O14
Smiles:
CC1C=CC=CCCC=CC=CC=CC=CC(O)CC2OC(O)(CC(O)C(O)CCC(O)CC(O)CC(O)CC(=O)OC(C)C(C)C1O)CC(O)C2C(=O)O| HBA: | 14 | RingCount: | 2 |
| HBD: | 10 | FractionCSP3: | 0.66 |
| AlogP: | 2.12 | Num_rotatable_bonds: | 1 |
| MolWt: | 780.95 | Num_heavy_atoms: | 55 |
| TPSA: | 254.9 | NumAromaticRings: | 0 |
