Glycoside
GD128575
Name:
methyl 1-(1,2-dihydroxyethyl)-8-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-9H-pyrido[3,4-b]indole-3-carboxylateFormula:
C21H24O10N2Smiles:
COC(=O)c1cc2c([nH]c3c(OC4OC(CO)C(O)C(O)C4O)cccc32)c(C(O)CO)n1Aglycone:
COC(=O)c1cc2c([nH]c3c(O)cccc32)c(C(O)CO)n1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.43 |
| AlogP: | -1.29 | Num_rotatable_bonds: | 6 |
| MolWt: | 464.43 | Num_heavy_atoms: | 33 |
| TPSA: | 194.82 | NumAromaticRings: | 3 |
Unique Aglycone
AD52080
Formula: C15H14O5N2
Smiles:
COC(=O)c1cc2c([nH]c3c(O)cccc32)c(C(O)CO)n1| HBA: | 7 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.2 |
| AlogP: | 1.23 | Num_rotatable_bonds: | 3 |
| MolWt: | 302.29 | Num_heavy_atoms: | 22 |
| TPSA: | 115.67 | NumAromaticRings: | 3 |
