Glycoside
GD117207
Name:
5-(3-methylbutyl)-3-[3,4,5-trihydroxy-5-(1-hydroxycyclopentyl)oxolane-2-carbonyloxy]-3aH-indol-3a-ideFormula:
C23H30O7NSmiles:
CC(C)CCc1ccc2[n-]cc(OC(=O)C3OC(O)(C4(O)CCCC4)C(O)C3O)c2c1Aglycone:
CC(C)CCc1ccc2[n-]cc(OC=O)c2c1.OC1CCCC1Sugarmoiety:
OC1OC(O)(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.61 |
| AlogP: | 1.41 | Num_rotatable_bonds: | 6 |
| MolWt: | 432.49 | Num_heavy_atoms: | 31 |
| TPSA: | 130.55 | NumAromaticRings: | 2 |
Unique Aglycone
AD45279
Formula: C5H10O
Smiles:
OC1CCCC1| HBA: | 1 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 1.0 |
| AlogP: | 0.92 | Num_rotatable_bonds: | 0 |
| MolWt: | 86.13 | Num_heavy_atoms: | 6 |
| TPSA: | 20.23 | NumAromaticRings: | 0 |
AD46696
Formula: C14H16O2N
Smiles:
CC(C)CCc1ccc2[n-]cc(OC=O)c2c1| HBA: | 3 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.36 |
| AlogP: | 2.92 | Num_rotatable_bonds: | 5 |
| MolWt: | 230.29 | Num_heavy_atoms: | 17 |
| TPSA: | 40.4 | NumAromaticRings: | 2 |
