Glycoside
GD130388
Name:
SuomilideFormula:
C45H73O19N7SSmiles:
CCCCCC(=O)OCC1OC(OC2CC3C(O)C4(C2)OC(O)=NC4C(C(O)=NCCC2=CCN(C(=N)N)C2)N3C(=O)C(N=C(O)C(COS(=O)(=O)O)OC)C(C)CC)C(OC(=O)CCCCC)C(O)C1OAglycone:
CCC(C)C(N=C(O)C(COS(=O)(=O)O)OC)C(=O)N1C2CC(O)CC3(OC(O)=NC3C1C(O)=NCCC1=CCN(C(=N)N)C1)C2O.CCCCCC(=O)O.CCCCCC(=O)OCSugarmoiety:
OCC1OC(O)OC(O)C1OOther Identifiers
Properties
| HBA: | 26 | RingCount: | 5 |
| HBD: | 10 | FractionCSP3: | 0.8 |
| AlogP: | 0.91 | Num_rotatable_bonds: | 26 |
| MolWt: | 1048.18 | Num_heavy_atoms: | 72 |
| TPSA: | 385.0 | NumAromaticRings: | 0 |
Unique Aglycone
AD00130
Formula: C6H12O2
Smiles:
CCCCCC(=O)O| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.83 |
| AlogP: | 1.65 | Num_rotatable_bonds: | 4 |
| MolWt: | 116.16 | Num_heavy_atoms: | 8 |
| TPSA: | 37.3 | NumAromaticRings: | 0 |
AD02869
Formula: C7H14O2
Smiles:
CCCCCC(=O)OC| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.86 |
| AlogP: | 1.74 | Num_rotatable_bonds: | 4 |
| MolWt: | 130.19 | Num_heavy_atoms: | 9 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
AD52839
Formula: C27H43O12N7S
Smiles:
CCC(C)C(N=C(O)C(COS(=O)(=O)O)OC)C(=O)N1C2CC(O)CC3(OC(O)=NC3C1C(O)=NCCC1=CCN(C(=N)N)C1)C2O| HBA: | 19 | RingCount: | 4 |
| HBD: | 9 | FractionCSP3: | 0.74 |
| AlogP: | -1.18 | Num_rotatable_bonds: | 13 |
| MolWt: | 689.74 | Num_heavy_atoms: | 47 |
| TPSA: | 293.71 | NumAromaticRings: | 0 |
