Glycoside

GD153012
Name:
2-(hydroxymethyl)-5-(3-methylbutyl)-3-[3,4,5-trihydroxy-5-(1-hydroxycyclopentyl)oxolane-2-carbonyloxy]-3aH-indol-3a-ideFormula:
C24H32O8NSmiles:
CC(C)CCc1ccc2[n-]c(CO)c(OC(=O)C3OC(O)(C4(O)CCCC4)C(O)C3O)c2c1Aglycone:
CC(C)CCc1ccc2[n-]c(CO)c(OC=O)c2c1.OC1CCCC1Sugarmoiety:
OC1OC(O)(O)C(O)C1OOther Identifiers
Properties
HBA: | 9 | RingCount: | 4 |
HBD: | 5 | FractionCSP3: | 0.62 |
AlogP: | 0.9 | Num_rotatable_bonds: | 7 |
MolWt: | 462.52 | Num_heavy_atoms: | 33 |
TPSA: | 150.78 | NumAromaticRings: | 2 |
Unique Aglycone
AD45279
Formula: C5H10O
Smiles:
OC1CCCC1HBA: | 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 |
AD46182
Formula: C15H18O3N
Smiles:
CC(C)CCc1ccc2[n-]c(CO)c(OC=O)c2c1HBA: | 4 | RingCount: | 2 |
HBD: | 1 | FractionCSP3: | 0.4 |
AlogP: | 2.41 | Num_rotatable_bonds: | 6 |
MolWt: | 260.31 | Num_heavy_atoms: | 19 |
TPSA: | 60.63 | NumAromaticRings: | 2 |