Glycoside
GD142511
Name:
[2-({4,5-dihydroxy-2-[(1-hydroxy-3-oxopropan-2-yl)oxy]-6-methyloxan-3-yl}oxy)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]amino acetateFormula:
C17H29O13NSmiles:
CC(=O)ONC1C(OC2C(OC(C=O)CO)OC(C)C(O)C2O)OC(CO)C(O)C1OAglycone:
CC(=O)ON.O=CC(O)COSugarmoiety:
CC1OC(O)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 2 |
| HBD: | 7 | FractionCSP3: | 0.88 |
| AlogP: | -4.71 | Num_rotatable_bonds: | 9 |
| MolWt: | 455.41 | Num_heavy_atoms: | 31 |
| TPSA: | 213.7 | NumAromaticRings: | 0 |
Unique Aglycone
AD43855
Formula: C2H5O2N
Smiles:
CC(=O)ON| HBA: | 3 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.5 |
| AlogP: | -0.58 | Num_rotatable_bonds: | 0 |
| MolWt: | 75.07 | Num_heavy_atoms: | 5 |
| TPSA: | 52.32 | NumAromaticRings: | 0 |
AD57343
Formula: C3H6O3
Smiles:
O=CC(O)CO| HBA: | 3 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.67 |
| AlogP: | -1.46 | Num_rotatable_bonds: | 2 |
| MolWt: | 90.08 | Num_heavy_atoms: | 6 |
| TPSA: | 57.53 | NumAromaticRings: | 0 |
