Glycoside
GD144358
Name:
4-({4-hydroxy-3-[(1-hydroxyethylidene)amino]-6-(hydroxymethyl)-5-(sulfooxy)oxan-2-yl}oxy)-5-(hydroxymethyl)-N-(2-sulfoethyl)pyrrolidine-2-carboximidic acidFormula:
C16H29O14N3S2Smiles:
CC(O)=NC1C(OC2CC(C(O)=NCCS(=O)(=O)O)NC2CO)OC(CO)C(OS(=O)(=O)O)C1OAglycone:
O=S(=O)(O)CCN=C(O)C1CC(O)C(CO)N1.O=S(=O)(O)OSugarmoiety:
CC(O)=NC1C(O)OC(CO)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 2 |
| HBD: | 8 | FractionCSP3: | 0.88 |
| AlogP: | -3.45 | Num_rotatable_bonds: | 11 |
| MolWt: | 551.55 | Num_heavy_atoms: | 35 |
| TPSA: | 274.33 | NumAromaticRings: | 0 |
Unique Aglycone
AD00034
Formula: H2O4S
Smiles:
O=S(=O)(O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.65 | Num_rotatable_bonds: | 0 |
| MolWt: | 98.08 | Num_heavy_atoms: | 5 |
| TPSA: | 74.6 | NumAromaticRings: | 0 |
AD58015
Formula: C8H16O6N2S
Smiles:
O=S(=O)(O)CCN=C(O)C1CC(O)C(CO)N1| HBA: | 8 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 0.88 |
| AlogP: | -2.09 | Num_rotatable_bonds: | 5 |
| MolWt: | 268.29 | Num_heavy_atoms: | 17 |
| TPSA: | 139.45 | NumAromaticRings: | 0 |
