Glycoside
GD153362
Name:
3-[(2-amino-1-phenylcyclopentyl)methyl]-5-hydroxy-1-(3-{4-hydroxy-3-[(4-{2-[(1H-pyrrol-2-yl)amino]ethyl}-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:
C46H52O12N6Smiles:
NC1CCCC1(CC1c2cc(O)c(OC3(O)OC(CO)C(O)C(O)C3O)cc2N(C(=O)C=Cc2ccc(O)c(Cc3[nH]cnc3CCNc3ccc[nH]3)c2)C1C(=O)O)c1ccccc1Aglycone:
NC1CCCC1(CC1c2cc(O)c(O)cc2N(C(=O)C=Cc2ccc(O)c(Cc3[nH]cnc3CCNc3ccc[nH]3)c2)C1C(=O)O)c1ccccc1Sugarmoiety:
OCC1OC(O)(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 8 |
| HBD: | 13 | FractionCSP3: | 0.37 |
| AlogP: | 2.33 | Num_rotatable_bonds: | 15 |
| MolWt: | 880.95 | Num_heavy_atoms: | 64 |
| TPSA: | 300.2 | NumAromaticRings: | 5 |
Unique Aglycone
AD60998
Formula: C40H42O6N6
Smiles:
NC1CCCC1(CC1c2cc(O)c(O)cc2N(C(=O)C=Cc2ccc(O)c(Cc3[nH]cnc3CCNc3ccc[nH]3)c2)C1C(=O)O)c1ccccc1| HBA: | 12 | RingCount: | 7 |
| HBD: | 9 | FractionCSP3: | 0.28 |
| AlogP: | 5.54 | Num_rotatable_bonds: | 12 |
| MolWt: | 702.81 | Num_heavy_atoms: | 52 |
| TPSA: | 200.82 | NumAromaticRings: | 5 |
