Glycoside
GD006460
Name:
NoneFormula:
C19H21O10N5SSmiles:
N[C@H](CSc1ccc(C(=O)O)cn1)C(=O)N[C@H](C(=O)O)[C@@H]1O[C@H](n2ccc(=O)[nH]c2=O)[C@H](O)[C@H]1OAglycone:
NC(CSc1ccc(C(=O)O)cn1)C(=O)NCC(=O)O.O=c1cc[nH]c(=O)[nH]1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 3 |
| HBD: | 8 | FractionCSP3: | 0.37 |
| AlogP: | -3.06 | Num_rotatable_bonds: | 9 |
| MolWt: | 511.47 | Num_heavy_atoms: | 35 |
| TPSA: | 247.16 | 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 |
AD05350
Formula: C11H13O5N3S
Smiles:
NC(CSc1ccc(C(=O)O)cn1)C(=O)NCC(=O)O| HBA: | 8 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 0.27 |
| AlogP: | -0.6 | Num_rotatable_bonds: | 7 |
| MolWt: | 299.31 | Num_heavy_atoms: | 20 |
| TPSA: | 142.61 | NumAromaticRings: | 1 |
