Glycoside
GD155410
Name:
3-[3-(benzyloxy)-4,5-dihydroxy-5-(hydroxymethyl)oxolane-2-carbonyloxy]-3aH-indol-3a-ideFormula:
C21H20O7NSmiles:
O=C(Oc1c[n-]c2ccccc12)C1OC(O)(CO)C(O)C1OCc1ccccc1Aglycone:
O=COc1c[n-]c2ccccc12.OCc1ccccc1Sugarmoiety:
OCC1(O)OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.29 |
| AlogP: | 0.73 | Num_rotatable_bonds: | 6 |
| MolWt: | 398.39 | Num_heavy_atoms: | 29 |
| TPSA: | 119.55 | NumAromaticRings: | 3 |
Unique Aglycone
AD00044
Formula: C7H8O
Smiles:
OCc1ccccc1| HBA: | 1 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.14 |
| AlogP: | 1.18 | Num_rotatable_bonds: | 1 |
| MolWt: | 108.14 | Num_heavy_atoms: | 8 |
| TPSA: | 20.23 | NumAromaticRings: | 1 |
AD45859
Formula: C9H6O2N
Smiles:
O=COc1c[n-]c2ccccc12| HBA: | 3 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.0 |
| AlogP: | 1.33 | Num_rotatable_bonds: | 2 |
| MolWt: | 160.15 | Num_heavy_atoms: | 12 |
| TPSA: | 40.4 | NumAromaticRings: | 2 |
