Glycoside
GD034644
Name:
NoneFormula:
C36H43O11N9PSmiles:
Nc1nc2c(c(=O)[nH]1)[n+](Cc1ccccc1)cn2[C@@H]1O[C@H](COP(=O)(O)NCCCCCC(=O)Nc2cccc3c2CN(C2CCC(=O)NC2=O)C3=O)[C@H](O)[C@H]1OAglycone:
COP(=O)(O)NCCCCCC(=O)Nc1cccc2c1CN(C1CCC(=O)NC1=O)C2=O.Nc1nc2c(c(=O)[nH]1)[N+](Cc1ccccc1)=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 7 |
| HBD: | 9 | FractionCSP3: | 0.42 |
| AlogP: | -0.07 | Num_rotatable_bonds: | 15 |
| MolWt: | 808.77 | Num_heavy_atoms: | 57 |
| TPSA: | 284.41 | NumAromaticRings: | 4 |
Unique Aglycone
AD03263
Formula: C12H11ON5
Smiles:
Nc1nc2c(c(=O)[nH]1)[N+](Cc1ccccc1)=C[N]2| HBA: | 6 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.08 |
| AlogP: | 0.47 | Num_rotatable_bonds: | 2 |
| MolWt: | 241.25 | Num_heavy_atoms: | 18 |
| TPSA: | 88.88 | NumAromaticRings: | 2 |
AD21245
Formula: C20H27O7N4P
Smiles:
COP(=O)(O)NCCCCCC(=O)Nc1cccc2c1CN(C1CCC(=O)NC1=O)C2=O| HBA: | 11 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.5 |
| AlogP: | 1.28 | Num_rotatable_bonds: | 10 |
| MolWt: | 466.43 | Num_heavy_atoms: | 32 |
| TPSA: | 154.14 | NumAromaticRings: | 1 |
