Glycoside
GD157202
Name:
2-(hydroxymethyl)-5-[3-methyl-5-(methylamino)pentyl]-3-[3,4,5-trihydroxy-5-(hydroxymethyl)oxolane-2-carbonyloxy]-3aH-indol-3a-ideFormula:
C22H31O8N2Smiles:
CNCCC(C)CCc1ccc2[n-]c(CO)c(OC(=O)C3OC(O)(CO)C(O)C3O)c2c1Aglycone:
CNCCC(C)CCc1ccc2[n-]c(CO)c(OC=O)c2c1Sugarmoiety:
OCC1(O)OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.59 |
| AlogP: | -0.83 | Num_rotatable_bonds: | 10 |
| MolWt: | 451.5 | Num_heavy_atoms: | 32 |
| TPSA: | 162.81 | NumAromaticRings: | 2 |
Unique Aglycone
AD62174
Formula: C17H23O3N2
Smiles:
CNCCC(C)CCc1ccc2[n-]c(CO)c(OC=O)c2c1| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.47 |
| AlogP: | 2.0 | Num_rotatable_bonds: | 9 |
| MolWt: | 303.38 | Num_heavy_atoms: | 22 |
| TPSA: | 72.66 | NumAromaticRings: | 2 |
