Glycoside
GD122148
Name:
4-({3-[(3-{[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl)oxy]-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl}oxy)pyrrolidine-2-carboxylic acidFormula:
C20H33O15NSmiles:
O=C(O)C1CC(OC2OC(CO)C(O)C2OC2OC(CO)C(O)C2OC2OC(CO)C(O)C2O)CN1Aglycone:
O=C(O)C1CC(O)CN1Sugarmoiety:
OCC1OC(OC2C(OC3C(O)OC(CO)C3O)OC(CO)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 4 |
| HBD: | 9 | FractionCSP3: | 0.95 |
| AlogP: | -5.82 | Num_rotatable_bonds: | 10 |
| MolWt: | 527.48 | Num_heavy_atoms: | 36 |
| TPSA: | 246.32 | NumAromaticRings: | 0 |
Unique Aglycone
AD49202
Formula: C5H9O3N
Smiles:
O=C(O)C1CC(O)CN1| HBA: | 4 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.8 |
| AlogP: | -1.21 | Num_rotatable_bonds: | 1 |
| MolWt: | 131.13 | Num_heavy_atoms: | 9 |
| TPSA: | 69.56 | NumAromaticRings: | 0 |
