Glycoside
GD003490
Name:
NoneFormula:
C16H24O8N3PSmiles:
CCCCC#Cc1cn([C@@H]2O[C@H]([C@H](O)CP(=O)(O)O)[C@H](O)[C@H]2O)c(=O)nc1NAglycone:
CCCCC#Cc1c[nH]c(=O)nc1N.O=P(O)(O)CCOSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 2 |
| HBD: | 7 | FractionCSP3: | 0.62 |
| AlogP: | -1.47 | Num_rotatable_bonds: | 6 |
| MolWt: | 417.36 | Num_heavy_atoms: | 28 |
| TPSA: | 188.36 | NumAromaticRings: | 1 |
Unique Aglycone
AD00029
Formula: C2H7O4P
Smiles:
O=P(O)(O)CCO| HBA: | 4 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | -0.84 | Num_rotatable_bonds: | 2 |
| MolWt: | 126.05 | Num_heavy_atoms: | 7 |
| TPSA: | 77.76 | NumAromaticRings: | 0 |
AD02339
Formula: C10H13ON3
Smiles:
CCCCC#Cc1c[nH]c(=O)nc1N| HBA: | 4 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.4 |
| AlogP: | 0.89 | Num_rotatable_bonds: | 2 |
| MolWt: | 191.23 | Num_heavy_atoms: | 14 |
| TPSA: | 71.77 | NumAromaticRings: | 1 |
