Glycoside
GD127364
Name:
NoneFormula:
C75H137O30N3Smiles:
CCCCCCCCCCCCCCCCCCCCCCCC(O)C(O)=NC(COC1OC(COC2(C(=O)O)CC(OC3(C(=O)O)CC(O)C(N=C(O)CO)C(C(O)C(CO)OC4CC(C)C(O)C(O)C4O)O3)C(N=C(C)O)C(C(O)C(O)CO)O2)C(O)C(O)C1O)C(O)C(O)CCCCCCCC(C)CCAglycone:
CCCCCCCCCCCCCCCCCCCCCCCC(O)C(O)=NC(CO)C(O)C(O)CCCCCCCC(C)CC.COC1(C(=O)O)CC(OC2(C(=O)O)CC(O)C(N=C(O)CO)C(C(O)C(CO)OC3CC(C)C(O)C(O)C3O)O2)C(N=C(C)O)C(C(O)C(O)CO)O1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 33 | RingCount: | 4 |
| HBD: | 21 | FractionCSP3: | 0.93 |
| AlogP: | 3.11 | Num_rotatable_bonds: | 56 |
| MolWt: | 1560.91 | Num_heavy_atoms: | 108 |
| TPSA: | 560.66 | NumAromaticRings: | 0 |
Unique Aglycone
AD51580
Formula: C40H81O5N
Smiles:
CCCCCCCCCCCCCCCCCCCCCCCC(O)C(O)=NC(CO)C(O)C(O)CCCCCCCC(C)CC| HBA: | 6 | RingCount: | 0 |
| HBD: | 5 | FractionCSP3: | 0.97 |
| AlogP: | 10.77 | Num_rotatable_bonds: | 36 |
| MolWt: | 656.09 | Num_heavy_atoms: | 46 |
| TPSA: | 113.51 | NumAromaticRings: | 0 |
AD51581
Formula: C30H50O21N2
Smiles:
COC1(C(=O)O)CC(OC2(C(=O)O)CC(O)C(N=C(O)CO)C(C(O)C(CO)OC3CC(C)C(O)C(O)C3O)O2)C(N=C(C)O)C(C(O)C(O)CO)O1| HBA: | 23 | RingCount: | 3 |
| HBD: | 14 | FractionCSP3: | 0.87 |
| AlogP: | -5.88 | Num_rotatable_bonds: | 16 |
| MolWt: | 774.72 | Num_heavy_atoms: | 53 |
| TPSA: | 388.23 | NumAromaticRings: | 0 |
