Glycoside
GD156119
Name:
3-[4,5-dihydroxy-5-(hydroxymethyl)-3-(3-hydroxypropoxy)oxolane-2-carbonyloxy]-3aH-indol-3a-ideFormula:
C17H20O8NSmiles:
O=C(Oc1c[n-]c2ccccc12)C1OC(O)(CO)C(O)C1OCCCOAglycone:
O=COc1c[n-]c2ccccc12.OCCCOSugarmoiety:
OCCCOOOC(O)(O)COOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.47 |
| AlogP: | -1.09 | Num_rotatable_bonds: | 7 |
| MolWt: | 366.35 | Num_heavy_atoms: | 26 |
| TPSA: | 139.78 | NumAromaticRings: | 2 |
Unique Aglycone
AD03058
Formula: C3H8O2
Smiles:
OCCCO| HBA: | 2 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | -0.64 | Num_rotatable_bonds: | 2 |
| MolWt: | 76.09 | Num_heavy_atoms: | 5 |
| TPSA: | 40.46 | NumAromaticRings: | 0 |
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 |
