Glycoside
GD034317
Name:
NoneFormula:
C32H36O15N9PSmiles:
NC(=O)c1ncn(C2O[C@H](COP(=O)(O)O)[C@H](O)[C@H]2O)c1C=CC(=O)N(CC1=NC2C(=O)NC(N)=NC2C=C1)c1ccc(C(=O)N[C@H](CCC(=O)O)C(=O)O)cc1Aglycone:
COP(=O)(O)O.NC(=O)C1=C(C=CC(=O)N(CC2=NC3C(=O)NC(N)=NC3C=C2)c2ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc2)[N]C=N1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 24 | RingCount: | 5 |
| HBD: | 12 | FractionCSP3: | 0.34 |
| AlogP: | -3.0 | Num_rotatable_bonds: | 16 |
| MolWt: | 817.66 | Num_heavy_atoms: | 57 |
| TPSA: | 381.21 | NumAromaticRings: | 2 |
Unique Aglycone
AD00079
Formula: CH5O4P
Smiles:
COP(=O)(O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | -0.27 | Num_rotatable_bonds: | 1 |
| MolWt: | 112.02 | Num_heavy_atoms: | 6 |
| TPSA: | 66.76 | NumAromaticRings: | 0 |
AD21827
Formula: C27H26O8N9
Smiles:
NC(=O)C1=C(C=CC(=O)N(CC2=NC3C(=O)NC(N)=NC3C=C2)c2ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc2)[N]C=N1| HBA: | 17 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.22 |
| AlogP: | -1.84 | Num_rotatable_bonds: | 12 |
| MolWt: | 604.56 | Num_heavy_atoms: | 44 |
| TPSA: | 273.4 | NumAromaticRings: | 1 |
