Glycoside
GD137406
Name:
Partricin BFormula:
C58H84O19N2Smiles:
CC1C=CC=CC=CC=CC=CC=CC=CC(OC2OC(C)C(O)C(N)C2O)CC2OC(O)(CC(O)CC(O)CC(O)CC(O)CC(=O)CC(O)CC(=O)OC1C(C)CCC(O)CC(=O)c1ccc(N)cc1)CC(O)C2C(=O)OAglycone:
CC1C=CC=CC=CC=CC=CC=CC=CC(O)CC2OC(O)(CC(O)CC(O)CC(O)CC(O)CC(=O)CC(O)CC(=O)OC1C(C)CCC(O)CC(=O)c1ccc(N)cc1)CC(O)C2C(=O)OSugarmoiety:
CC1OC(O)C(O)C(N)C1OOther Identifiers
Properties
| HBA: | 21 | RingCount: | 4 |
| HBD: | 15 | FractionCSP3: | 0.59 |
| AlogP: | 2.29 | Num_rotatable_bonds: | 10 |
| MolWt: | 1113.31 | Num_heavy_atoms: | 79 |
| TPSA: | 379.77 | NumAromaticRings: | 1 |
Unique Aglycone
AD55515
Formula: C52H73O16N
Smiles:
CC1C=CC=CC=CC=CC=CC=CC=CC(O)CC2OC(O)(CC(O)CC(O)CC(O)CC(O)CC(=O)CC(O)CC(=O)OC1C(C)CCC(O)CC(=O)c1ccc(N)cc1)CC(O)C2C(=O)O| HBA: | 17 | RingCount: | 3 |
| HBD: | 12 | FractionCSP3: | 0.54 |
| AlogP: | 3.47 | Num_rotatable_bonds: | 8 |
| MolWt: | 968.15 | Num_heavy_atoms: | 69 |
| TPSA: | 315.06 | NumAromaticRings: | 1 |
