Glycoside
GD123812
Name:
NoneFormula:
C80H142O35N4Smiles:
CCCCCCCCCCCCCCCCCCCCCCC(O)C(O)=NC(COC1OC(COC2(C(=O)O)CC(OC3(C(=O)O)CC(O)C(N=C(O)COC4(C(=O)O)CC(O)C(N=C(O)CO)C(C(O)C(O)CO)O4)C(C(O)C(O)CO)O3)C(N=C(C)O)C(C(O)C(O)CO)O2)C(O)C(O)C1O)C(O)C=CCCCCCCCCC(C)CCAglycone:
CCCCCCCCCCCCCCCCCCCCCCC(O)C(O)=NC(CO)C(O)C=CCCCCCCCCC(C)CC.COC1(C(=O)O)CC(OC2(C(=O)O)CC(O)C(N=C(O)COC3(C(=O)O)CC(O)C(N=C(O)CO)C(C(O)C(O)CO)O3)C(C(O)C(O)CO)O2)C(N=C(C)O)C(C(O)C(O)CO)O1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 39 | RingCount: | 4 |
| HBD: | 24 | FractionCSP3: | 0.89 |
| AlogP: | 1.77 | Num_rotatable_bonds: | 62 |
| MolWt: | 1720.01 | Num_heavy_atoms: | 119 |
| TPSA: | 660.01 | NumAromaticRings: | 0 |
Unique Aglycone
AD49683
Formula: C41H81O4N
Smiles:
CCCCCCCCCCCCCCCCCCCCCCC(O)C(O)=NC(CO)C(O)C=CCCCCCCCCC(C)CC| HBA: | 5 | RingCount: | 0 |
| HBD: | 4 | FractionCSP3: | 0.93 |
| AlogP: | 11.96 | Num_rotatable_bonds: | 36 |
| MolWt: | 652.1 | Num_heavy_atoms: | 46 |
| TPSA: | 93.28 | NumAromaticRings: | 0 |
AD49987
Formula: C34H55O27N3
Smiles:
COC1(C(=O)O)CC(OC2(C(=O)O)CC(O)C(N=C(O)COC3(C(=O)O)CC(O)C(N=C(O)CO)C(C(O)C(O)CO)O3)C(C(O)C(O)CO)O2)C(N=C(C)O)C(C(O)C(O)CO)O1| HBA: | 30 | RingCount: | 3 |
| HBD: | 18 | FractionCSP3: | 0.82 |
| AlogP: | -8.4 | Num_rotatable_bonds: | 22 |
| MolWt: | 937.81 | Num_heavy_atoms: | 64 |
| TPSA: | 507.81 | NumAromaticRings: | 0 |
