Glycoside
GD034181
Name:
NoneFormula:
C21H31O9N2PSmiles:
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-])[O-]Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.71 |
| AlogP: | -0.12 | Num_rotatable_bonds: | 12 |
| MolWt: | 486.46 | Num_heavy_atoms: | 33 |
| TPSA: | 176.97 | NumAromaticRings: | 1 |
Unique Aglycone
AD01339
Formula: CH3O4P
Smiles:
COP(=O)([O-])[O-]| HBA: | 4 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 1.0 |
| AlogP: | -1.54 | Num_rotatable_bonds: | 1 |
| MolWt: | 110.0 | Num_heavy_atoms: | 6 |
| TPSA: | 72.42 | 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 |
