Glycoside
GD124816
Name:
2-[(4-{[4,5-dihydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}-5-acetamido-2,3,6-trihydroxyhexyl)oxy]-5-acetamido-4-hydroxy-6-(1,2,3-trihydroxypropyl)oxane-2-carboxylic acidFormula:
C31H54O23N2Smiles:
CC(O)=NC(CO)C(OC1OC(CO)C(O)C(O)C1OC1OC(C)C(O)C(O)C1O)C(O)C(O)COC1(C(=O)O)CC(O)C(N=C(C)O)C(C(O)C(O)CO)O1Aglycone:
CC(O)=NC1C(O)CC(C(=O)O)OC1C(O)C(O)CO.CC(O)=NCCOSugarmoiety:
CC1OC(OC2C(OC(O)C(O)C(O)COO)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 25 | RingCount: | 3 |
| HBD: | 16 | FractionCSP3: | 0.9 |
| AlogP: | -7.91 | Num_rotatable_bonds: | 18 |
| MolWt: | 822.76 | Num_heavy_atoms: | 56 |
| TPSA: | 420.85 | NumAromaticRings: | 0 |
Unique Aglycone
AD45321
Formula: C4H9O2N
Smiles:
CC(O)=NCCO| HBA: | 3 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.75 |
| AlogP: | -0.04 | Num_rotatable_bonds: | 2 |
| MolWt: | 103.12 | Num_heavy_atoms: | 7 |
| TPSA: | 52.82 | NumAromaticRings: | 0 |
AD50447
Formula: C11H19O8N
Smiles:
CC(O)=NC1C(O)CC(C(=O)O)OC1C(O)C(O)CO| HBA: | 9 | RingCount: | 1 |
| HBD: | 6 | FractionCSP3: | 0.82 |
| AlogP: | -2.35 | Num_rotatable_bonds: | 5 |
| MolWt: | 293.27 | Num_heavy_atoms: | 20 |
| TPSA: | 160.04 | NumAromaticRings: | 0 |
