Glycoside
GD011091
Name:
NoneFormula:
C12H19O18N3P4Smiles:
N#CCCOP(=O)(O)OP(=O)(O)OP(=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)OP(=O)(O)OP(=O)(O)OCCC#N.O=c1cc[nH]c(=O)[nH]1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 21 | RingCount: | 2 |
| HBD: | 7 | FractionCSP3: | 0.58 |
| AlogP: | -1.45 | Num_rotatable_bonds: | 13 |
| MolWt: | 617.18 | Num_heavy_atoms: | 37 |
| TPSA: | 323.69 | 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 |
AD08502
Formula: C4H11O13NP4
Smiles:
COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OCCC#N| HBA: | 14 | RingCount: | 0 |
| HBD: | 4 | FractionCSP3: | 0.75 |
| AlogP: | 1.01 | Num_rotatable_bonds: | 10 |
| MolWt: | 405.02 | Num_heavy_atoms: | 22 |
| TPSA: | 219.14 | NumAromaticRings: | 0 |
