Glycoside
GD149204
Name:
5-{2-[3-(hydroxymethyl)phenyl]-3-methylbutyl}-3-[3,4,5-trihydroxy-5-(hydroxymethyl)oxolane-2-carbonyloxy]-3aH-indol-3a-ideFormula:
C26H30O8NSmiles:
CC(C)C(Cc1ccc2[n-]cc(OC(=O)C3OC(O)(CO)C(O)C3O)c2c1)c1cccc(CO)c1Aglycone:
CC(C)C(Cc1ccc2[n-]cc(OC=O)c2c1)c1cccc(CO)c1Sugarmoiety:
OCC1(O)OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.42 |
| AlogP: | 0.98 | Num_rotatable_bonds: | 8 |
| MolWt: | 484.53 | Num_heavy_atoms: | 35 |
| TPSA: | 150.78 | NumAromaticRings: | 3 |
Unique Aglycone
AD59667
Formula: C21H22O3N
Smiles:
CC(C)C(Cc1ccc2[n-]cc(OC=O)c2c1)c1cccc(CO)c1| HBA: | 4 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.29 |
| AlogP: | 3.81 | Num_rotatable_bonds: | 7 |
| MolWt: | 336.41 | Num_heavy_atoms: | 25 |
| TPSA: | 60.63 | NumAromaticRings: | 3 |
