Glycoside
GD150472
Name:
Lmg-4Formula:
C73H133O31N3Smiles:
CCCCCCCCCCCCCCCCCCCCC(O)C(O)=NC(COC1OC(CO)C(OC2OC(CO)C(O)C(OC3(C(=O)O)CC(O)C(N=C(C)O)C(C(O)C(CO)OC4(C(=O)O)CC(O)C(N=C(C)O)C(C(O)C(O)CO)O4)O3)C2O)C(O)C1O)C(O)C(O)CCCCCCCCCCCCCAglycone:
CC(O)=NC1C(O)CC(OC(CO)C(O)C2OC(O)(C(=O)O)CC(O)C2N=C(C)O)(C(=O)O)OC1C(O)C(O)CO.CCCCCCCCCCCCCCCCCCCCC(O)C(O)=NC(CO)C(O)C(O)CCCCCCCCCCCCCSugarmoiety:
OCC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 34 | RingCount: | 4 |
| HBD: | 21 | FractionCSP3: | 0.93 |
| AlogP: | 2.2 | Num_rotatable_bonds: | 56 |
| MolWt: | 1548.86 | Num_heavy_atoms: | 107 |
| TPSA: | 569.89 | NumAromaticRings: | 0 |
Unique Aglycone
AD44904
Formula: C22H36O17N2
Smiles:
CC(O)=NC1C(O)CC(OC(CO)C(O)C2OC(O)(C(=O)O)CC(O)C2N=C(C)O)(C(=O)O)OC1C(O)C(O)CO| HBA: | 19 | RingCount: | 2 |
| HBD: | 12 | FractionCSP3: | 0.82 |
| AlogP: | -5.02 | Num_rotatable_bonds: | 12 |
| MolWt: | 600.53 | Num_heavy_atoms: | 41 |
| TPSA: | 329.31 | NumAromaticRings: | 0 |
AD49193
Formula: C39H79O5N
Smiles:
CCCCCCCCCCCCCCCCCCCCC(O)C(O)=NC(CO)C(O)C(O)CCCCCCCCCCCCC| HBA: | 6 | RingCount: | 0 |
| HBD: | 5 | FractionCSP3: | 0.97 |
| AlogP: | 10.52 | Num_rotatable_bonds: | 36 |
| MolWt: | 642.06 | Num_heavy_atoms: | 45 |
| TPSA: | 113.51 | NumAromaticRings: | 0 |
