Glycoside
GD005446
Name:
NoneFormula:
C39H66O17N5FP2Smiles:
CCCCCCCCCCCCCCCCCCOC(COP(=O)(O)OCC1OC(n2cc(F)c(=O)[nH]c2=O)CC1O)COP(=O)(O)OCC1OC(n2ccc(N)nc2=O)C(O)C1OAglycone:
CCCCCCCCCCCCCCCCCCOC(COP(=O)(O)OC)COP(=O)(O)OCC1OC(n2cc(F)c(=O)[nH]c2=O)CC1O.Nc1cc[nH]c(=O)n1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 22 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.79 |
| AlogP: | 3.7 | Num_rotatable_bonds: | 32 |
| MolWt: | 957.92 | Num_heavy_atoms: | 64 |
| TPSA: | 315.67 | NumAromaticRings: | 2 |
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 |
AD04627
Formula: C31H57O13N2FP2
Smiles:
CCCCCCCCCCCCCCCCCCOC(COP(=O)(O)OC)COP(=O)(O)OCC1OC(n2cc(F)c(=O)[nH]c2=O)CC1O| HBA: | 15 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.87 |
| AlogP: | 5.87 | Num_rotatable_bonds: | 29 |
| MolWt: | 746.74 | Num_heavy_atoms: | 49 |
| TPSA: | 205.07 | NumAromaticRings: | 1 |
