Glycoside
GD130765
Name:
1-(3-{3-[(4-ethyl-1H-imidazol-5-yl)methyl]-4-hydroxyphenyl}prop-2-enoyl)-5-hydroxy-6-{[2,3,4,5-tetrahydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,3-dihydro-1H-indole-2-carboxylic acidFormula:
C30H33O12N3Smiles:
CCc1nc[nH]c1Cc1cc(C=CC(=O)N2c3cc(OC4(O)OC(CO)C(O)C(O)C4O)c(O)cc3CC2C(=O)O)ccc1OAglycone:
CCc1nc[nH]c1Cc1cc(C=CC(=O)N2c3cc(O)c(O)cc3CC2C(=O)O)ccc1OSugarmoiety:
OCC1OC(O)(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 5 |
| HBD: | 9 | FractionCSP3: | 0.37 |
| AlogP: | -0.47 | Num_rotatable_bonds: | 9 |
| MolWt: | 627.6 | Num_heavy_atoms: | 45 |
| TPSA: | 246.36 | NumAromaticRings: | 3 |
Unique Aglycone
AD52984
Formula: C24H23O6N3
Smiles:
CCc1nc[nH]c1Cc1cc(C=CC(=O)N2c3cc(O)c(O)cc3CC2C(=O)O)ccc1O| HBA: | 9 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.21 |
| AlogP: | 2.74 | Num_rotatable_bonds: | 6 |
| MolWt: | 449.46 | Num_heavy_atoms: | 33 |
| TPSA: | 146.98 | NumAromaticRings: | 3 |
