Glycoside
GD025450
Name:
Amphotericin BFormula:
C47H73O17NSmiles:
CC1C=CC=CC=CC=CC=CC=CC=CC(OC2OC(C)C(O)C(N)C2O)CC2OC(O)(CC(O)CC(O)C(O)CCC(O)CC(O)CC(=O)OC(C)C(C)C1O)CC(O)C2C(=O)OAglycone:
CC1C=CC=CC=CC=CC=CC=CC=CC(O)CC2OC(O)(CC(O)CC(O)C(O)CCC(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: | 0.66 |
| AlogP: | 0.71 | Num_rotatable_bonds: | 3 |
| MolWt: | 924.09 | Num_heavy_atoms: | 65 |
| TPSA: | 319.61 | NumAromaticRings: | 0 |
Unique Aglycone
AD00702
Formula: C41H62O14
Smiles:
CC1C=CC=CC=CC=CC=CC=CC=CC(O)CC2OC(O)(CC(O)CC(O)C(O)CCC(O)CC(O)CC(=O)OC(C)C(C)C1O)CC(O)C2C(=O)O| HBA: | 14 | RingCount: | 2 |
| HBD: | 10 | FractionCSP3: | 0.61 |
| AlogP: | 1.89 | Num_rotatable_bonds: | 1 |
| MolWt: | 778.93 | Num_heavy_atoms: | 55 |
| TPSA: | 254.9 | NumAromaticRings: | 0 |
