Glycoside
GD121795
Name:
Alpha-Neup5Gc-(2->3)-Beta-D-Galp-(1->4)-D-GlcpFormula:
C23H39O20NSmiles:
O=C(O)C1(OC2C(O)C(CO)OC(OC3C(CO)OC(O)C(O)C3O)C2O)CC(O)C(N=C(O)CO)C(C(O)C(O)CO)O1Aglycone:
O=C(O)C1(O)CC(O)C(N=C(O)CO)C(C(O)C(O)CO)O1Sugarmoiety:
OCC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 21 | RingCount: | 3 |
| HBD: | 14 | FractionCSP3: | 0.91 |
| AlogP: | -8.41 | Num_rotatable_bonds: | 12 |
| MolWt: | 649.55 | Num_heavy_atoms: | 44 |
| TPSA: | 358.8 | NumAromaticRings: | 0 |
Unique Aglycone
AD49044
Formula: C11H19O10N
Smiles:
O=C(O)C1(O)CC(O)C(N=C(O)CO)C(C(O)C(O)CO)O1| HBA: | 11 | RingCount: | 1 |
| HBD: | 8 | FractionCSP3: | 0.82 |
| AlogP: | -4.06 | Num_rotatable_bonds: | 6 |
| MolWt: | 325.27 | Num_heavy_atoms: | 22 |
| TPSA: | 200.5 | NumAromaticRings: | 0 |
