Glycoside
GD119653
Name:
3-ethyl-2-(3-hydroxy-1-methoxy-1-oxopropan-2-yl)-9-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,2H,3H,4H,6H,7H,12H,12bH-indolo[2,3-a]quinolizine-6-carboxylic acidFormula:
C28H38O11N2Smiles:
CCC1CN2C(C(=O)O)Cc3c([nH]c4ccc(OC5OC(CO)C(O)C(O)C5O)cc34)C2CC1C(CO)C(=O)OCAglycone:
CCC1CN2C(C(=O)O)Cc3c([nH]c4ccc(O)cc34)C2CC1C(CO)C(=O)OCSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.64 |
| AlogP: | -0.47 | Num_rotatable_bonds: | 8 |
| MolWt: | 578.62 | Num_heavy_atoms: | 41 |
| TPSA: | 202.24 | NumAromaticRings: | 2 |
Unique Aglycone
AD47977
Formula: C22H28O6N2
Smiles:
CCC1CN2C(C(=O)O)Cc3c([nH]c4ccc(O)cc34)C2CC1C(CO)C(=O)OC| HBA: | 8 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.55 |
| AlogP: | 2.05 | Num_rotatable_bonds: | 5 |
| MolWt: | 416.47 | Num_heavy_atoms: | 30 |
| TPSA: | 123.09 | NumAromaticRings: | 2 |
