Glycoside
GD124677
Name:
3-O-Beta-D-Glucopyranosyloxyuronic Acid-(1-2)-Beta-D-Xylopyranosyl Cyclam+Formula:
C41H64O14Smiles:
CC1(C=O)CCC23COC4(CCC5C6(C)CCC(OC7OCC(O)C(O)C7OC7OC(C(=O)O)C(O)C(O)C7O)C(C)(C)C6CCC5(C)C4(C)CC2O)C3C1Aglycone:
CC1(C=O)CCC23COC4(CCC5C6(C)CCC(O)C(C)(C)C6CCC5(C)C4(C)CC2O)C3C1Sugarmoiety:
O=C(O)C1OC(OC2C(O)OCC(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 8 |
| HBD: | 7 | FractionCSP3: | 0.95 |
| AlogP: | 1.91 | Num_rotatable_bonds: | 6 |
| MolWt: | 780.95 | Num_heavy_atoms: | 55 |
| TPSA: | 221.9 | NumAromaticRings: | 0 |
Unique Aglycone
AD01925
Formula: C30H48O4
Smiles:
CC1(C=O)CCC23COC4(CCC5C6(C)CCC(O)C(C)(C)C6CCC5(C)C4(C)CC2O)C3C1| HBA: | 4 | RingCount: | 6 |
| HBD: | 2 | FractionCSP3: | 0.97 |
| AlogP: | 5.53 | Num_rotatable_bonds: | 1 |
| MolWt: | 472.71 | Num_heavy_atoms: | 34 |
| TPSA: | 66.76 | NumAromaticRings: | 0 |
