Glycoside
GD031106
Name:
NoneFormula:
C22H25O12N3P2Smiles:
C#CCCC#Cc1cccc(CON=c2ccn([C@@H]3O[C@H](COP(=O)(O)OP(=O)(O)O)[C@H](O)[C@H]3O)c(=O)[nH]2)c1Aglycone:
C#CCCC#Cc1cccc(CON=c2cc[nH]c(=O)[nH]2)c1.COP(=O)(O)OP(=O)(O)OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.36 |
| AlogP: | -0.18 | Num_rotatable_bonds: | 10 |
| MolWt: | 585.4 | Num_heavy_atoms: | 39 |
| TPSA: | 222.36 | NumAromaticRings: | 2 |
Unique Aglycone
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 |
AD20067
Formula: C17H15O2N3
Smiles:
C#CCCC#Cc1cccc(CON=c2cc[nH]c(=O)[nH]2)c1| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.18 |
| AlogP: | 1.5 | Num_rotatable_bonds: | 4 |
| MolWt: | 293.33 | Num_heavy_atoms: | 22 |
| TPSA: | 70.24 | NumAromaticRings: | 2 |
