Glycoside
GD139321
Name:
4-(acetyloxy)-2,5-dihydroxy-6-{[(2-hydroxypropyl)amino]methyl}oxan-3-yl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoateFormula:
C21H29O10NSmiles:
COc1cc(C=CC(=O)OC2C(O)OC(CNCC(C)O)C(O)C2OC(C)=O)ccc1OAglycone:
CNCC(C)O.COc1cc(C=CC(=O)O)ccc1OSugarmoiety:
CC(=O)OC1C(O)C(O)OC(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.52 |
| AlogP: | -0.69 | Num_rotatable_bonds: | 9 |
| MolWt: | 455.46 | Num_heavy_atoms: | 32 |
| TPSA: | 164.01 | NumAromaticRings: | 1 |
Unique Aglycone
AD00175
Formula: C10H10O4
Smiles:
COc1cc(C=CC(=O)O)ccc1O| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.1 |
| AlogP: | 1.5 | Num_rotatable_bonds: | 3 |
| MolWt: | 194.19 | Num_heavy_atoms: | 14 |
| TPSA: | 66.76 | NumAromaticRings: | 1 |
AD49499
Formula: C4H11ON
Smiles:
CNCC(C)O| HBA: | 2 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | -0.41 | Num_rotatable_bonds: | 2 |
| MolWt: | 89.14 | Num_heavy_atoms: | 6 |
| TPSA: | 32.26 | NumAromaticRings: | 0 |
