Glycoside
GD130592
Name:
3,4,5-trihydroxy-6-({1-[methyl(2-{9-oxatricyclo[9.4.0.0³,â¸]pentadeca-1(15),3,5,7,11,13-hexaen-2-yl}ethyl)amino]-3-phenoxypropan-2-yl}oxy)oxane-2-carboxylic acidFormula:
C32H37O9NSmiles:
CN(CCC1c2ccccc2COc2ccccc21)CC(COc1ccccc1)OC1OC(C(=O)O)C(O)C(O)C1OAglycone:
CN(CCC1c2ccccc2COc2ccccc21)CC(O)COc1ccccc1Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.41 |
| AlogP: | 2.39 | Num_rotatable_bonds: | 11 |
| MolWt: | 579.65 | Num_heavy_atoms: | 42 |
| TPSA: | 138.15 | NumAromaticRings: | 3 |
Unique Aglycone
AD52923
Formula: C26H29O3N
Smiles:
CN(CCC1c2ccccc2COc2ccccc21)CC(O)COc1ccccc1| HBA: | 4 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.31 |
| AlogP: | 4.47 | Num_rotatable_bonds: | 8 |
| MolWt: | 403.52 | Num_heavy_atoms: | 30 |
| TPSA: | 41.93 | NumAromaticRings: | 3 |
