Glycoside
GD135712
Name:
1-{3-[3-(aziridine-1-carbonyl)-4-hydroxyphenyl]prop-2-enoyl}-5-hydroxy-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,3-dihydro-1H-indole-2-carboxylic acidFormula:
C27H28O12N2Smiles:
O=C(O)C1Cc2cc(O)c(OC3OC(CO)C(O)C(O)C3O)cc2N1C(=O)C=Cc1ccc(O)c(C(=O)N2CC2)c1Aglycone:
O=C(O)C1Cc2cc(O)c(O)cc2N1C(=O)C=Cc1ccc(O)c(C(=O)N2CC2)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.37 |
| AlogP: | -1.21 | Num_rotatable_bonds: | 7 |
| MolWt: | 572.52 | Num_heavy_atoms: | 41 |
| TPSA: | 217.53 | NumAromaticRings: | 2 |
Unique Aglycone
AD54870
Formula: C21H18O7N2
Smiles:
O=C(O)C1Cc2cc(O)c(O)cc2N1C(=O)C=Cc1ccc(O)c(C(=O)N2CC2)c1| HBA: | 9 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.19 |
| AlogP: | 1.31 | Num_rotatable_bonds: | 4 |
| MolWt: | 410.38 | Num_heavy_atoms: | 30 |
| TPSA: | 138.38 | NumAromaticRings: | 2 |
