Glycoside
GD005602
Name:
MEPARTRICINFormula:
C60H88O19N2Smiles:
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)OC)C(CC(O[C@@H]4O[C@H](C)[C@H](O)[C@H](N)[C@H]4O)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)OC)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: | 13 | FractionCSP3: | 0.6 |
| AlogP: | 2.83 | Num_rotatable_bonds: | 11 |
| MolWt: | 1141.36 | Num_heavy_atoms: | 81 |
| TPSA: | 354.78 | NumAromaticRings: | 1 |
Unique Aglycone
AD04736
Formula: C54H77O16N
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)OC)C(CC(O)C=CC=CC=CC=CC=CC=CC=CC2C)O3)cc1| HBA: | 17 | RingCount: | 3 |
| HBD: | 10 | FractionCSP3: | 0.56 |
| AlogP: | 4.02 | Num_rotatable_bonds: | 9 |
| MolWt: | 996.2 | Num_heavy_atoms: | 71 |
| TPSA: | 290.07 | NumAromaticRings: | 1 |
