Glycoside
GD127518
Name:
Nystatin A3Formula:
C53H85O20NSmiles:
CC1C=CC=CCCC=CC=CC=CC=CC(OC2OC(C)C(O)C(N)C2O)CC2OC(O)(CC(O)C(O)CCC(O)CC(O)CC(O)CC(=O)OC(C)C(C)C1OC1CC(O)C(O)C(C)O1)CC(O)C2C(=O)OAglycone:
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)C1O.CC1OC(O)CC(O)C1OOther Identifiers
Properties
| HBA: | 21 | RingCount: | 4 |
| HBD: | 14 | FractionCSP3: | 0.74 |
| AlogP: | 0.82 | Num_rotatable_bonds: | 5 |
| MolWt: | 1056.25 | Num_heavy_atoms: | 74 |
| TPSA: | 358.3 | 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 |
