Glycoside
GD027618
Name:
NoneFormula:
C12H17O12N3P2Smiles:
N#CCCOP(=O)(O)OP(=O)(O)OC[C@@H]1O[C@H](n2ccc(=O)[nH]c2=O)[C@H](O)[C@H]1OAglycone:
COP(=O)(O)OP(=O)(O)OCCC#N.O=c1cc[nH]c(=O)[nH]1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.58 |
| AlogP: | -1.68 | Num_rotatable_bonds: | 9 |
| MolWt: | 457.23 | Num_heavy_atoms: | 29 |
| TPSA: | 230.63 | NumAromaticRings: | 1 |
Unique Aglycone
AD00106
Formula: C4H4O2N2
Smiles:
O=c1cc[nH]c(=O)[nH]1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.94 | Num_rotatable_bonds: | 0 |
| MolWt: | 112.09 | Num_heavy_atoms: | 8 |
| TPSA: | 65.72 | NumAromaticRings: | 1 |
AD18128
Formula: C4H9O7NP2
Smiles:
COP(=O)(O)OP(=O)(O)OCCC#N| HBA: | 8 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.75 |
| AlogP: | 0.78 | Num_rotatable_bonds: | 6 |
| MolWt: | 245.06 | Num_heavy_atoms: | 14 |
| TPSA: | 126.08 | NumAromaticRings: | 0 |
