Glycoside
GD153104
Name:
3-[(2-amino-1-phenylcyclopentyl)methyl]-5-hydroxy-1-[3-(4-hydroxy-3-{[4-(3-oxopropyl)-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:
C43H48O13N4Smiles:
NC1CCCC1(CC1c2cc(O)c(OC3(O)OC(CO)C(O)C(O)C3O)cc2N(C(=O)C=Cc2ccc(O)c(Cc3[nH]cnc3CCC=O)c2)C1C(=O)O)c1ccccc1Aglycone:
NC1CCCC1(CC1c2cc(O)c(O)cc2N(C(=O)C=Cc2ccc(O)c(Cc3[nH]cnc3CCC=O)c2)C1C(=O)O)c1ccccc1Sugarmoiety:
OCC1OC(O)(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 7 |
| HBD: | 11 | FractionCSP3: | 0.4 |
| AlogP: | 1.48 | Num_rotatable_bonds: | 14 |
| MolWt: | 828.87 | Num_heavy_atoms: | 60 |
| TPSA: | 289.45 | NumAromaticRings: | 4 |
Unique Aglycone
AD60917
Formula: C37H38O7N4
Smiles:
NC1CCCC1(CC1c2cc(O)c(O)cc2N(C(=O)C=Cc2ccc(O)c(Cc3[nH]cnc3CCC=O)c2)C1C(=O)O)c1ccccc1| HBA: | 11 | RingCount: | 6 |
| HBD: | 7 | FractionCSP3: | 0.3 |
| AlogP: | 4.68 | Num_rotatable_bonds: | 11 |
| MolWt: | 650.73 | Num_heavy_atoms: | 48 |
| TPSA: | 190.07 | NumAromaticRings: | 4 |
