Glycoside
GD013370
Name:
NoneFormula:
C21H33O9N2PSmiles:
CCCCCCCCCCC#Cc1cn([C@@H]2O[C@H](COP(=O)(O)O)[C@H](O)[C@H]2O)c(=O)[nH]c1=OAglycone:
CCCCCCCCCCC#Cc1c[nH]c(=O)[nH]c1=O.COP(=O)(O)OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.71 |
| AlogP: | 1.15 | Num_rotatable_bonds: | 12 |
| MolWt: | 488.47 | Num_heavy_atoms: | 33 |
| TPSA: | 171.31 | NumAromaticRings: | 1 |
Unique Aglycone
AD00079
Formula: CH5O4P
Smiles:
COP(=O)(O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | -0.27 | Num_rotatable_bonds: | 1 |
| MolWt: | 112.02 | Num_heavy_atoms: | 6 |
| TPSA: | 66.76 | NumAromaticRings: | 0 |
AD09986
Formula: C16H24O2N2
Smiles:
CCCCCCCCCCC#Cc1c[nH]c(=O)[nH]c1=O| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.62 |
| AlogP: | 2.95 | Num_rotatable_bonds: | 8 |
| MolWt: | 276.38 | Num_heavy_atoms: | 20 |
| TPSA: | 65.72 | NumAromaticRings: | 1 |
