Glycoside
GD035978
Name:
methyl 1-{[3-ethenyl-5-(methoxycarbonyl)-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-pyran-4-yl]methyl}-1H,2H,3H,4H,9H-pyrido[3,4-b]indole-3-carboxylateFormula:
C29H36O11N2Smiles:
C=C[C@@H]1[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)OC=C(C(=O)OC)[C@H]1C[C@@H]1N[C@H](C(=O)OC)Cc2c1[nH]c1ccccc21Aglycone:
C=CC1C(O)OC=C(C(=O)OC)C1CC1NC(C(=O)OC)Cc2c1[nH]c1ccccc21Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.52 |
| AlogP: | -0.07 | Num_rotatable_bonds: | 8 |
| MolWt: | 588.61 | Num_heavy_atoms: | 42 |
| TPSA: | 189.03 | NumAromaticRings: | 2 |
Unique Aglycone
AD22737
Formula: C23H26O6N2
Smiles:
C=CC1C(O)OC=C(C(=O)OC)C1CC1NC(C(=O)OC)Cc2c1[nH]c1ccccc21| HBA: | 8 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.39 |
| AlogP: | 2.11 | Num_rotatable_bonds: | 5 |
| MolWt: | 426.47 | Num_heavy_atoms: | 31 |
| TPSA: | 109.88 | NumAromaticRings: | 2 |
