Glycoside
GD130140
Name:
N-{3-[(4-{[4,5-dihydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}-5-hydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl)oxy]-1,4,5,6-tetrahydroxyhexan-2-yl}acetamideFormula:
C32H57O24NSmiles:
CC(O)=NC(CO)C(OC1OC(CO)C(O)C(OC2OC(CO)C(O)C(O)C2OC2OC(C)C(O)C(O)C2O)C1OC1OC(C)C(O)C(O)C1O)C(O)C(O)COAglycone:
CC(O)=NCCOSugarmoiety:
CC1OC(OC2C(OC3C(O)C(CO)OC(OC(O)C(O)C(O)CO)C3OC3OC(C)C(O)C(O)C3O)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 25 | RingCount: | 4 |
| HBD: | 16 | FractionCSP3: | 0.97 |
| AlogP: | -9.25 | Num_rotatable_bonds: | 16 |
| MolWt: | 839.79 | Num_heavy_atoms: | 57 |
| TPSA: | 409.88 | 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 |
Sugarmoiety
SD07190
CC1OC(OC2C(OC3C(O)C(CO)OC(OC(O)C(O)C(O)CO)C3OC3OC(C)C(O)C(O)C3O)OC(CO)C(O)C2O)C(O)C(O)C1O