Glycoside
GD000895
Name:
NoneFormula:
C30H56O10N3PSmiles:
CCCCCCCCCCCCCCCCCCOCC(O)COP(=O)(O)OCC1OC(n2ccc(N)nc2=O)C(O)C1OAglycone:
CCCCCCCCCCCCCCCCCCOCC(O)COP(=O)(O)OC.Nc1cc[nH]c(=O)n1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.87 |
| AlogP: | 4.22 | Num_rotatable_bonds: | 26 |
| MolWt: | 649.76 | Num_heavy_atoms: | 44 |
| TPSA: | 195.82 | NumAromaticRings: | 1 |
Unique Aglycone
AD00115
Formula: C4H5ON3
Smiles:
Nc1cc[nH]c(=O)n1| HBA: | 4 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | -0.65 | Num_rotatable_bonds: | 0 |
| MolWt: | 111.1 | Num_heavy_atoms: | 8 |
| TPSA: | 71.77 | NumAromaticRings: | 1 |
AD00939
Formula: C22H47O6P
Smiles:
CCCCCCCCCCCCCCCCCCOCC(O)COP(=O)(O)OC| HBA: | 6 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | 6.39 | Num_rotatable_bonds: | 23 |
| MolWt: | 438.59 | Num_heavy_atoms: | 29 |
| TPSA: | 85.22 | NumAromaticRings: | 0 |
