Glycoside
GD128812
Name:
2-{1-[4-hydroxy-3,5-bis({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})oxan-2-yl]-1H-indol-3-yl}acetic acidFormula:
C27H37O16NSmiles:
O=C(O)Cc1cn(C2OCC(OC3OC(CO)C(O)C(O)C3O)C(O)C2OC2OC(CO)C(O)C(O)C2O)c2ccccc12Aglycone:
O=C(O)Cc1c[nH]c2ccccc12Sugarmoiety:
OCC1OC(OC2COC(O)C(OC3OC(CO)C(O)C(O)C3O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 5 |
| HBD: | 10 | FractionCSP3: | 0.67 |
| AlogP: | -4.47 | Num_rotatable_bonds: | 9 |
| MolWt: | 631.58 | Num_heavy_atoms: | 44 |
| TPSA: | 270.45 | 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 |
