Glycoside
GD116680
Name:
5-[3-methyl-5-(methylamino)pentyl]-3-[3,4,5-trihydroxy-5-(hydroxymethyl)oxolane-2-carbonyloxy]-3aH-indol-3a-ideFormula:
C21H29O7N2Smiles:
CNCCC(C)CCc1ccc2[n-]cc(OC(=O)C3OC(O)(CO)C(O)C3O)c2c1Aglycone:
CNCCC(C)CCc1ccc2[n-]cc(OC=O)c2c1Sugarmoiety:
OCC1(O)OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.57 |
| AlogP: | -0.32 | Num_rotatable_bonds: | 9 |
| MolWt: | 421.47 | Num_heavy_atoms: | 30 |
| TPSA: | 142.58 | NumAromaticRings: | 2 |
Unique Aglycone
AD46379
Formula: C16H21O2N2
Smiles:
CNCCC(C)CCc1ccc2[n-]cc(OC=O)c2c1| HBA: | 4 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.44 |
| AlogP: | 2.51 | Num_rotatable_bonds: | 8 |
| MolWt: | 273.36 | Num_heavy_atoms: | 20 |
| TPSA: | 52.43 | NumAromaticRings: | 2 |
