Glycoside
GD129430
Name:
1-(3-{3-[(4-ethyl-1H-imidazol-5-yl)methyl]-4-hydroxyphenyl}prop-2-enoyl)-5-hydroxy-3-[(1-phenylcyclohexyl)methyl]-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,3-dihydro-1H-indole-2-carboxylic acidFormula:
C43H49O11N3Smiles:
CCc1nc[nH]c1Cc1cc(C=CC(=O)N2c3cc(OC4OC(CO)C(O)C(O)C4O)c(O)cc3C(CC3(c4ccccc4)CCCCC3)C2C(=O)O)ccc1OAglycone:
CCc1nc[nH]c1Cc1cc(C=CC(=O)N2c3cc(O)c(O)cc3C(CC3(c4ccccc4)CCCCC3)C2C(=O)O)ccc1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 7 |
| HBD: | 8 | FractionCSP3: | 0.42 |
| AlogP: | 4.04 | Num_rotatable_bonds: | 12 |
| MolWt: | 783.88 | Num_heavy_atoms: | 57 |
| TPSA: | 226.13 | NumAromaticRings: | 4 |
Unique Aglycone
AD52081
Formula: C37H39O6N3
Smiles:
CCc1nc[nH]c1Cc1cc(C=CC(=O)N2c3cc(O)c(O)cc3C(CC3(c4ccccc4)CCCCC3)C2C(=O)O)ccc1O| HBA: | 9 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 0.32 |
| AlogP: | 6.57 | Num_rotatable_bonds: | 9 |
| MolWt: | 621.73 | Num_heavy_atoms: | 46 |
| TPSA: | 146.98 | NumAromaticRings: | 4 |
