Glycoside
GD004184
Name:
PRIMYCINFormula:
C55H103O17N3Smiles:
CCCCC1C(=O)OC(C(C)C(O)CCCNC(=N)N)C(C)C=C(C)CCCCC(O)CC(O)CC(O)CC(O)CC(O)C(O[C@@H]2O[C@H](CO)[C@H](O)[C@H]2O)C=C(C)C(O)CCCC(O)CCCC(O)CCC(C)C1OAglycone:
CCCCC1C(=O)OC(C(C)C(O)CCCNC(=N)N)C(C)C=C(C)CCCCC(O)CC(O)CC(O)CC(O)CC(O)C(O)C=C(C)C(O)CCCC(O)CCCC(O)CCC(C)C1OSugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 2 |
| HBD: | 17 | FractionCSP3: | 0.89 |
| AlogP: | 2.46 | Num_rotatable_bonds: | 12 |
| MolWt: | 1078.43 | Num_heavy_atoms: | 75 |
| TPSA: | 369.65 | NumAromaticRings: | 0 |
Unique Aglycone
AD03693
Formula: C50H95O13N3
Smiles:
CCCCC1C(=O)OC(C(C)C(O)CCCNC(=N)N)C(C)C=C(C)CCCCC(O)CC(O)CC(O)CC(O)CC(O)C(O)C=C(C)C(O)CCCC(O)CCCC(O)CCC(C)C1O| HBA: | 16 | RingCount: | 1 |
| HBD: | 15 | FractionCSP3: | 0.88 |
| AlogP: | 3.99 | Num_rotatable_bonds: | 9 |
| MolWt: | 946.32 | Num_heavy_atoms: | 66 |
| TPSA: | 310.73 | NumAromaticRings: | 0 |
