Glycoside
GD158095
Name:
3-[(2-amino-1-phenylcyclopentyl)methyl]-5-hydroxy-1-[3-(4-hydroxy-3-{[4-(2-hydroxyethyl)-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:
C42H48O13N4Smiles:
NC1CCCC1(CC1c2cc(O)c(OC3(O)OC(CO)C(O)C(O)C3O)cc2N(C(=O)C=Cc2ccc(O)c(Cc3[nH]cnc3CCO)c2)C1C(=O)O)c1ccccc1Aglycone:
NC1CCCC1(CC1c2cc(O)c(O)cc2N(C(=O)C=Cc2ccc(O)c(Cc3[nH]cnc3CCO)c2)C1C(=O)O)c1ccccc1Sugarmoiety:
OCC1OC(O)(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 7 |
| HBD: | 12 | FractionCSP3: | 0.4 |
| AlogP: | 0.88 | Num_rotatable_bonds: | 13 |
| MolWt: | 816.86 | Num_heavy_atoms: | 59 |
| TPSA: | 292.61 | NumAromaticRings: | 4 |
Unique Aglycone
AD62432
Formula: C36H38O7N4
Smiles:
NC1CCCC1(CC1c2cc(O)c(O)cc2N(C(=O)C=Cc2ccc(O)c(Cc3[nH]cnc3CCO)c2)C1C(=O)O)c1ccccc1| HBA: | 11 | RingCount: | 6 |
| HBD: | 8 | FractionCSP3: | 0.31 |
| AlogP: | 4.09 | Num_rotatable_bonds: | 10 |
| MolWt: | 638.72 | Num_heavy_atoms: | 47 |
| TPSA: | 193.23 | NumAromaticRings: | 4 |
