Glycoside
GD129174
Name:
1-{[3-ethenyl-5-(methoxycarbonyl)-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-pyran-4-yl]methyl}-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,2H,3H,4H,9H-pyrido[3,4-b]indole-3-carboxylic acidFormula:
C34H44O17N2Smiles:
C=CC1C(OC2OC(CO)C(O)C(O)C2O)OC=C(C(=O)OC)C1CC1NC(C(=O)O)Cc2c1[nH]c1ccc(OC3OC(CO)C(O)C(O)C3O)cc21Aglycone:
C=CC1C(O)OC=C(C(=O)OC)C1CC1NC(C(=O)O)Cc2c1[nH]c1ccc(O)cc21Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 6 |
| HBD: | 11 | FractionCSP3: | 0.59 |
| AlogP: | -2.98 | Num_rotatable_bonds: | 11 |
| MolWt: | 752.72 | Num_heavy_atoms: | 53 |
| TPSA: | 299.41 | NumAromaticRings: | 2 |
Unique Aglycone
AD52324
Formula: C22H24O7N2
Smiles:
C=CC1C(O)OC=C(C(=O)OC)C1CC1NC(C(=O)O)Cc2c1[nH]c1ccc(O)cc21| HBA: | 9 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.36 |
| AlogP: | 1.73 | Num_rotatable_bonds: | 5 |
| MolWt: | 428.44 | Num_heavy_atoms: | 31 |
| TPSA: | 141.11 | NumAromaticRings: | 2 |
