Glycoside
GD156134
Name:
2-(hydroxymethyl)-3-[3,4,5-trihydroxy-5-(1-hydroxycyclopentyl)oxolane-2-carbonyloxy]-3aH-indol-3a-ideFormula:
C19H22O8NSmiles:
O=C(Oc1c(CO)[n-]c2ccccc12)C1OC(O)(C2(O)CCCC2)C(O)C1OAglycone:
O=COc1c(CO)[n-]c2ccccc12.OC1CCCC1Sugarmoiety:
OC1OC(O)(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.53 |
| AlogP: | -0.69 | Num_rotatable_bonds: | 4 |
| MolWt: | 392.38 | Num_heavy_atoms: | 28 |
| TPSA: | 150.78 | 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 |
AD50007
Formula: C10H8O3N
Smiles:
O=COc1c(CO)[n-]c2ccccc12| HBA: | 4 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.1 |
| AlogP: | 0.82 | Num_rotatable_bonds: | 3 |
| MolWt: | 190.18 | Num_heavy_atoms: | 14 |
| TPSA: | 60.63 | NumAromaticRings: | 2 |
