Glycoside
GD128005
Name:
2-[1-(4,5-dihydroxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)-1H-indol-3-yl]acetic acidFormula:
C21H27O11NSmiles:
O=C(O)Cc1cn(C2OCC(O)C(O)C2OC2OC(CO)C(O)C(O)C2O)c2ccccc12Aglycone:
O=C(O)Cc1c[nH]c2ccccc12Sugarmoiety:
OCC1OC(OC2C(O)OCC(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.57 |
| AlogP: | -2.3 | Num_rotatable_bonds: | 6 |
| MolWt: | 469.44 | Num_heavy_atoms: | 33 |
| TPSA: | 191.3 | NumAromaticRings: | 2 |
Unique Aglycone
AD46581
Formula: C10H9O2N
Smiles:
O=C(O)Cc1c[nH]c2ccccc12| HBA: | 3 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.1 |
| AlogP: | 1.79 | Num_rotatable_bonds: | 2 |
| MolWt: | 175.19 | Num_heavy_atoms: | 13 |
| TPSA: | 53.09 | NumAromaticRings: | 2 |
