Glycoside
GD000916
Name:
NoneFormula:
C18H21O9N5SSmiles:
N[C@H](CSc1ccc(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(O)cn1)C(=O)NCC(=O)O.O=c1cc[nH]c(=O)[nH]1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 3 |
| HBD: | 8 | FractionCSP3: | 0.39 |
| AlogP: | -3.05 | Num_rotatable_bonds: | 8 |
| MolWt: | 483.46 | Num_heavy_atoms: | 33 |
| TPSA: | 230.09 | 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 |
AD00960
Formula: C10H13O4N3S
Smiles:
NC(CSc1ccc(O)cn1)C(=O)NCC(=O)O| HBA: | 7 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 0.3 |
| AlogP: | -0.59 | Num_rotatable_bonds: | 6 |
| MolWt: | 271.3 | Num_heavy_atoms: | 18 |
| TPSA: | 125.54 | NumAromaticRings: | 1 |
