Glycoside
GD026460
Name:
NoneFormula:
C17H28O17N4P2Smiles:
NCCNC(=O)[C@@H]1O[C@H](OP(=O)(O)OP(=O)(O)OC[C@@H]2O[C@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1OAglycone:
COP(=O)(O)OP(=O)(O)O.NCCNC=O.O=c1cc[nH]c(=O)[nH]1Sugarmoiety:
OC1OOC(O)C(O)C1O.OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 21 | RingCount: | 3 |
| HBD: | 11 | FractionCSP3: | 0.71 |
| AlogP: | -5.71 | Num_rotatable_bonds: | 11 |
| MolWt: | 622.37 | Num_heavy_atoms: | 40 |
| TPSA: | 331.88 | 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 |
AD00305
Formula: CH6O7P2
Smiles:
COP(=O)(O)OP(=O)(O)O| HBA: | 7 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | -0.16 | Num_rotatable_bonds: | 3 |
| MolWt: | 192.0 | Num_heavy_atoms: | 10 |
| TPSA: | 113.29 | NumAromaticRings: | 0 |
AD00403
Formula: C3H8ON2
Smiles:
NCCNC=O| HBA: | 3 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 0.67 |
| AlogP: | -1.31 | Num_rotatable_bonds: | 3 |
| MolWt: | 88.11 | Num_heavy_atoms: | 6 |
| TPSA: | 55.12 | NumAromaticRings: | 0 |
