Glycoside
GD027561
Name:
NoneFormula:
C17H19O6N3SSmiles:
O=C(C=C[C@@H]1O[C@H](n2ccc(=O)[nH]c2=O)[C@H](O)[C@H]1O)NCCc1cccs1Aglycone:
C=CC(=O)NCCc1cccs1.O=c1cc[nH]c(=O)[nH]1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.35 |
| AlogP: | -0.87 | Num_rotatable_bonds: | 6 |
| MolWt: | 393.42 | Num_heavy_atoms: | 27 |
| TPSA: | 133.65 | NumAromaticRings: | 2 |
Unique Aglycone
AD00106
Formula: C4H4O2N2
Smiles:
O=c1cc[nH]c(=O)[nH]1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.94 | Num_rotatable_bonds: | 0 |
| MolWt: | 112.09 | Num_heavy_atoms: | 8 |
| TPSA: | 65.72 | NumAromaticRings: | 1 |
AD18103
Formula: C9H11ONS
Smiles:
C=CC(=O)NCCc1cccs1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.22 |
| AlogP: | 1.59 | Num_rotatable_bonds: | 4 |
| MolWt: | 181.26 | Num_heavy_atoms: | 12 |
| TPSA: | 29.1 | NumAromaticRings: | 1 |
