Glycoside
GD003041
Name:
NoneFormula:
C18H23O15N6P3Smiles:
CNc1ccccc1C(=O)O[C@@H]1[C@H](COP(=O)(O)OP(=O)(O)NP(=O)(O)O)O[C@H](n2cnc3c(=O)[nH]c(=O)[nH]c32)[C@H]1OAglycone:
CNc1ccccc1C(=O)O.COP(=O)(O)OP(=O)(O)NP(=O)(O)O.O=c1[nH]c2c(c(=O)[nH]1)N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 21 | RingCount: | 4 |
| HBD: | 9 | FractionCSP3: | 0.33 |
| AlogP: | -1.15 | Num_rotatable_bonds: | 11 |
| MolWt: | 656.33 | Num_heavy_atoms: | 42 |
| TPSA: | 313.95 | NumAromaticRings: | 3 |
Unique Aglycone
AD00255
Formula: C8H9O2N
Smiles:
CNc1ccccc1C(=O)O| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.12 |
| AlogP: | 1.43 | Num_rotatable_bonds: | 2 |
| MolWt: | 151.16 | Num_heavy_atoms: | 11 |
| TPSA: | 49.33 | NumAromaticRings: | 1 |
AD00256
Formula: CH8O9NP3
Smiles:
COP(=O)(O)OP(=O)(O)NP(=O)(O)O| HBA: | 10 | RingCount: | 0 |
| HBD: | 5 | FractionCSP3: | 1.0 |
| AlogP: | -0.47 | Num_rotatable_bonds: | 5 |
| MolWt: | 270.99 | Num_heavy_atoms: | 14 |
| TPSA: | 162.62 | NumAromaticRings: | 0 |
AD02805
Formula: C5H3O2N4
Smiles:
O=c1[nH]c2c(c(=O)[nH]1)N=C[N]2| HBA: | 6 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -1.03 | Num_rotatable_bonds: | 0 |
| MolWt: | 151.11 | Num_heavy_atoms: | 11 |
| TPSA: | 92.18 | NumAromaticRings: | 1 |
