Glycoside
GD144145
Name:
1-(3-{3-[(4-ethyl-1H-imidazol-5-yl)methyl]-4-hydroxyphenyl}prop-2-enoyl)-5-hydroxy-3-(2-phenylethyl)-6-{[2,3,4,5-tetrahydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,3-dihydro-1H-indole-2-carboxylic acidFormula:
C38H41O12N3Smiles:
CCc1nc[nH]c1Cc1cc(C=CC(=O)N2c3cc(OC4(O)OC(CO)C(O)C(O)C4O)c(O)cc3C(CCc3ccccc3)C2C(=O)O)ccc1OAglycone:
CCc1nc[nH]c1Cc1cc(C=CC(=O)N2c3cc(O)c(O)cc3C(CCc3ccccc3)C2C(=O)O)ccc1OSugarmoiety:
OCC1OC(O)(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 6 |
| HBD: | 9 | FractionCSP3: | 0.34 |
| AlogP: | 1.7 | Num_rotatable_bonds: | 12 |
| MolWt: | 731.76 | Num_heavy_atoms: | 53 |
| TPSA: | 246.36 | NumAromaticRings: | 4 |
Unique Aglycone
AD57942
Formula: C32H31O6N3
Smiles:
CCc1nc[nH]c1Cc1cc(C=CC(=O)N2c3cc(O)c(O)cc3C(CCc3ccccc3)C2C(=O)O)ccc1O| HBA: | 9 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.22 |
| AlogP: | 4.91 | Num_rotatable_bonds: | 9 |
| MolWt: | 553.62 | Num_heavy_atoms: | 41 |
| TPSA: | 146.98 | NumAromaticRings: | 4 |
