Glycoside
GD153908
Name:
3-[(2-amino-1-phenylcyclopentyl)methyl]-5-hydroxy-1-(3-{4-hydroxy-3-[(4-{3-oxo-2-[(1H-pyrrol-2-yl)amino]propyl}-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:
C47H52O13N6Smiles:
NC1CCCC1(CC1c2cc(O)c(OC3(O)OC(CO)C(O)C(O)C3O)cc2N(C(=O)C=Cc2ccc(O)c(Cc3nc[nH]c3CC(C=O)Nc3ccc[nH]3)c2)C1C(=O)O)c1ccccc1Aglycone:
NC1CCCC1(CC1c2cc(O)c(O)cc2N(C(=O)C=Cc2ccc(O)c(Cc3nc[nH]c3CC(C=O)Nc3ccc[nH]3)c2)C1C(=O)O)c1ccccc1Sugarmoiety:
OCC1OC(O)(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 8 |
| HBD: | 13 | FractionCSP3: | 0.36 |
| AlogP: | 1.9 | Num_rotatable_bonds: | 16 |
| MolWt: | 908.96 | Num_heavy_atoms: | 66 |
| TPSA: | 317.27 | NumAromaticRings: | 5 |
Unique Aglycone
AD61173
Formula: C41H42O7N6
Smiles:
NC1CCCC1(CC1c2cc(O)c(O)cc2N(C(=O)C=Cc2ccc(O)c(Cc3nc[nH]c3CC(C=O)Nc3ccc[nH]3)c2)C1C(=O)O)c1ccccc1| HBA: | 13 | RingCount: | 7 |
| HBD: | 9 | FractionCSP3: | 0.27 |
| AlogP: | 5.1 | Num_rotatable_bonds: | 13 |
| MolWt: | 730.82 | Num_heavy_atoms: | 54 |
| TPSA: | 217.89 | NumAromaticRings: | 5 |
