Glycoside
GD137251
Name:
5-({3-[(6-carboxy-3,4,5-trihydroxyoxan-2-yl)oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl}oxy)-6-hydroxy-2,3-dihydro-1H-indole-2-carboxylic acidFormula:
C21H27O15NSmiles:
O=C(O)C1Cc2cc(OC3OC(CO)C(O)C(O)C3OC3OC(C(=O)O)C(O)C(O)C3O)c(O)cc2N1Aglycone:
O=C(O)C1Cc2cc(O)c(O)cc2N1Sugarmoiety:
O=C(O)C1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 4 |
| HBD: | 10 | FractionCSP3: | 0.62 |
| AlogP: | -4.09 | Num_rotatable_bonds: | 7 |
| MolWt: | 533.44 | Num_heavy_atoms: | 37 |
| TPSA: | 265.16 | NumAromaticRings: | 1 |
Unique Aglycone
AD55461
Formula: C9H9O4N
Smiles:
O=C(O)C1Cc2cc(O)c(O)cc2N1| HBA: | 5 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.22 |
| AlogP: | 0.52 | Num_rotatable_bonds: | 1 |
| MolWt: | 195.17 | Num_heavy_atoms: | 14 |
| TPSA: | 89.79 | NumAromaticRings: | 1 |
