Glycoside
GD124558
Name:
2-{1-[4,5-dihydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]-1H-indol-3-yl}acetic acidFormula:
C22H29O12NSmiles:
O=C(O)Cc1cn(C2OC(CO)C(O)C(O)C2OC2OC(CO)C(O)C(O)C2O)c2ccccc12Aglycone:
O=C(O)Cc1c[nH]c2ccccc12Sugarmoiety:
OCC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.59 |
| AlogP: | -2.93 | Num_rotatable_bonds: | 7 |
| MolWt: | 499.47 | Num_heavy_atoms: | 35 |
| TPSA: | 211.53 | 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 |
