Glycoside
GD007433
Name:
MBC-11Formula:
C11H20O14N3P3Smiles:
CC(O)(P(=O)(O)O)P(=O)(O)OP(=O)(O)OC[C@@H]1O[C@H](n2ccc(N)nc2=O)[C@H](O)[C@H]1OAglycone:
COP(=O)(O)OP(=O)(O)C(C)(O)P(=O)(O)O.Nc1cc[nH]c(=O)n1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 2 |
| HBD: | 9 | FractionCSP3: | 0.64 |
| AlogP: | -2.39 | Num_rotatable_bonds: | 8 |
| MolWt: | 511.21 | Num_heavy_atoms: | 31 |
| TPSA: | 281.42 | NumAromaticRings: | 1 |
Unique Aglycone
AD00115
Formula: C4H5ON3
Smiles:
Nc1cc[nH]c(=O)n1| HBA: | 4 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | -0.65 | Num_rotatable_bonds: | 0 |
| MolWt: | 111.1 | Num_heavy_atoms: | 8 |
| TPSA: | 71.77 | NumAromaticRings: | 1 |
AD06055
Formula: C3H11O10P3
Smiles:
COP(=O)(O)OP(=O)(O)C(C)(O)P(=O)(O)O| HBA: | 10 | RingCount: | 0 |
| HBD: | 5 | FractionCSP3: | 1.0 |
| AlogP: | -0.22 | Num_rotatable_bonds: | 5 |
| MolWt: | 300.03 | Num_heavy_atoms: | 16 |
| TPSA: | 170.82 | NumAromaticRings: | 0 |
