Glycoside
GD153565
Name:
3-o-beta-d-xylopyranosyl-(1-2)-beta-d-galactopyranosyl-(1-6)-2-acetamido-+Formula:
C55H89O23NSmiles:
CC(O)=NC1C(OC2CCC3(C)C(CCC4(C)C3CC=C3C5CC(C)(C)CCC5(C(=O)O)C(OC5OC(CO)C(O)C(O)C5O)CC34C)C2(C)C)OC(COC2OC(CO)C(O)C(O)C2OC2OCC(O)C(O)C2O)C(O)C1OAglycone:
CC1(C)CCC2(C(=O)O)C(O)CC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1Sugarmoiety:
CC(O)=NC1C(O)OC(COC2OC(CO)C(O)C(O)C2OC2OCC(O)C(O)C2O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 24 | RingCount: | 9 |
| HBD: | 14 | FractionCSP3: | 0.93 |
| AlogP: | -0.88 | Num_rotatable_bonds: | 13 |
| MolWt: | 1132.3 | Num_heavy_atoms: | 79 |
| TPSA: | 386.49 | NumAromaticRings: | 0 |
Unique Aglycone
AD00309
Formula: C30H48O4
Smiles:
CC1(C)CCC2(C(=O)O)C(O)CC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1| HBA: | 4 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.9 |
| AlogP: | 6.2 | Num_rotatable_bonds: | 1 |
| MolWt: | 472.71 | Num_heavy_atoms: | 34 |
| TPSA: | 77.76 | NumAromaticRings: | 0 |
Sugarmoiety
SD10132
CC(O)=NC1C(O)OC(COC2OC(CO)C(O)C(O)C2OC2OCC(O)C(O)C2O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O