Glycoside
GD132230
Name:
NoneFormula:
C78H140O36N4Smiles:
CCCCCCCCCCCCCCCCCCCCC(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(O)CCCCCCCCCC(C)CCAglycone:
CCCCCCCCCCCCCCCCCCCCC(O)C(O)=NC(CO)C(O)C(O)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: | 40 | RingCount: | 4 |
| HBD: | 25 | FractionCSP3: | 0.91 |
| AlogP: | 0.19 | Num_rotatable_bonds: | 61 |
| MolWt: | 1709.97 | Num_heavy_atoms: | 118 |
| TPSA: | 680.24 | NumAromaticRings: | 0 |
Unique Aglycone
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 |
AD50488
Formula: C39H79O5N
Smiles:
CCCCCCCCCCCCCCCCCCCCC(O)C(O)=NC(CO)C(O)C(O)CCCCCCCCCC(C)CC| HBA: | 6 | RingCount: | 0 |
| HBD: | 5 | FractionCSP3: | 0.97 |
| AlogP: | 10.38 | Num_rotatable_bonds: | 35 |
| MolWt: | 642.06 | Num_heavy_atoms: | 45 |
| TPSA: | 113.51 | NumAromaticRings: | 0 |
