Glycoside
GD151843
Name:
N-({2-[4,5-dimethyl-6-({[3,4,5-trimethyl-6-(2-methylpropyl)oxan-2-yl]oxy}methyl)-2-{[3,4,5-trimethyl-6-(propan-2-yloxy)oxan-2-yl]methoxy}oxan-3-yl]acetamido}methyl)-4-(2,5-dioxopyrrolidin-1-yl)-2,3-dihydroxy-4-oxobutanamideFormula:
C43H73O13N3Smiles:
CC(C)CC1OC(OCC2OC(OCC3OC(OC(C)C)C(C)C(C)C3C)C(CC(O)=NCN=C(O)C(O)C(O)C(=O)N3C(=O)CCC3=O)C(C)C2C)C(C)C(C)C1CAglycone:
CC(C)CC1OC(OCC2OC(OCC3OC(OC(C)C)C(C)C(C)C3C)C(CC(O)=NCN)C(C)C2C)C(C)C(C)C1C.O=C1CCC(=O)N1Sugarmoiety:
O=C(O)C(O)C(O)C(=O)OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.88 |
| AlogP: | 5.03 | Num_rotatable_bonds: | 17 |
| MolWt: | 840.07 | Num_heavy_atoms: | 59 |
| TPSA: | 215.47 | NumAromaticRings: | 0 |
Unique Aglycone
AD29161
Formula: C4H5O2N
Smiles:
O=C1CCC(=O)N1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.5 |
| AlogP: | -0.58 | Num_rotatable_bonds: | 0 |
| MolWt: | 99.09 | Num_heavy_atoms: | 7 |
| TPSA: | 46.17 | NumAromaticRings: | 0 |
AD59009
Formula: C35H66O7N2
Smiles:
CC(C)CC1OC(OCC2OC(OCC3OC(OC(C)C)C(C)C(C)C3C)C(CC(O)=NCN)C(C)C2C)C(C)C(C)C1C| HBA: | 9 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.97 |
| AlogP: | 6.63 | Num_rotatable_bonds: | 13 |
| MolWt: | 626.92 | Num_heavy_atoms: | 44 |
| TPSA: | 113.99 | NumAromaticRings: | 0 |
