Glycoside
GD149022
Name:
Lucensimycin FFormula:
C46H62O21N2SSmiles:
CC(=O)OC1CC2C(C=CC3CC(C=CC=CC=CC(=O)O)C4(C(=O)OC(CSCC(N=C(C)O)C(O)=NC5C(OC6C(O)C(O)C(O)C(O)C6O)OC(CO)C(O)C5O)C4=O)C(=O)C32C)C(O)C1CAglycone:
CC(=O)OC1CC2C(C=CC3CC(C=CC=CC=CC(=O)O)C4(C(=O)OC(CSCC(N=C(C)O)C(=N)O)C4=O)C(=O)C32C)C(O)C1C.OC1C(O)C(O)C(O)C(O)C1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 23 | RingCount: | 6 |
| HBD: | 12 | FractionCSP3: | 0.67 |
| AlogP: | -2.39 | Num_rotatable_bonds: | 15 |
| MolWt: | 1011.06 | Num_heavy_atoms: | 70 |
| TPSA: | 389.75 | NumAromaticRings: | 0 |
Unique Aglycone
AD00421
Formula: C6H12O6
Smiles:
OC1C(O)C(O)C(O)C(O)C1O| HBA: | 6 | RingCount: | 1 |
| HBD: | 6 | FractionCSP3: | 1.0 |
| AlogP: | -3.83 | Num_rotatable_bonds: | 0 |
| MolWt: | 180.16 | Num_heavy_atoms: | 12 |
| TPSA: | 121.38 | NumAromaticRings: | 0 |
AD59596
Formula: C34H42O11N2S
Smiles:
CC(=O)OC1CC2C(C=CC3CC(C=CC=CC=CC(=O)O)C4(C(=O)OC(CSCC(N=C(C)O)C(=N)O)C4=O)C(=O)C32C)C(O)C1C| HBA: | 13 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.56 |
| AlogP: | 3.18 | Num_rotatable_bonds: | 11 |
| MolWt: | 686.78 | Num_heavy_atoms: | 48 |
| TPSA: | 220.94 | NumAromaticRings: | 0 |
