Glycoside
GD126083
Name:
5-hydroxy-1-(3-{4-hydroxy-3-[(1H-imidazol-5-yl)methyl]phenyl}prop-2-enoyl)-6-{[2,3,4,5-tetrahydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,3-dihydro-1H-indole-2-carboxylic acidFormula:
C28H29O12N3Smiles:
O=C(O)C1Cc2cc(O)c(OC3(O)OC(CO)C(O)C(O)C3O)cc2N1C(=O)C=Cc1ccc(O)c(Cc2cnc[nH]2)c1Aglycone:
O=C(O)C1Cc2cc(O)c(O)cc2N1C(=O)C=Cc1ccc(O)c(Cc2cnc[nH]2)c1Sugarmoiety:
OCC1OC(O)(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 5 |
| HBD: | 9 | FractionCSP3: | 0.32 |
| AlogP: | -1.03 | Num_rotatable_bonds: | 8 |
| MolWt: | 599.55 | Num_heavy_atoms: | 43 |
| TPSA: | 246.36 | NumAromaticRings: | 3 |
Unique Aglycone
AD46621
Formula: C22H19O6N3
Smiles:
O=C(O)C1Cc2cc(O)c(O)cc2N1C(=O)C=Cc1ccc(O)c(Cc2cnc[nH]2)c1| HBA: | 9 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.14 |
| AlogP: | 2.17 | Num_rotatable_bonds: | 5 |
| MolWt: | 421.41 | Num_heavy_atoms: | 31 |
| TPSA: | 146.98 | NumAromaticRings: | 3 |
