Glycoside
GD133931
Name:
3-O-[Beta-D-Glucopyranosyl-(1-3)-O-Alpha-L-Rhamnopyranosyl-(1-2)-Beta-D-G+Formula:
C52H84O23Smiles:
COC1(C)C(=CCC(C)COC2OC(CO)C(O)C(O)C2O)OC2CC3C4CC=C5CC(OC6OC(CO)C(O)C(OC7OC(CO)C(O)C(O)C7O)C6OC6OC(C)C(O)C(O)C6O)CCC5(C)C4CCC3(C)C21Aglycone:
COC1(C)C(=CCC(C)CO)OC2CC3C4CC=C5CC(O)CCC5(C)C4CCC3(C)C21Sugarmoiety:
CC1OC(OC2C(O)OC(CO)C(O)C2OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 23 | RingCount: | 9 |
| HBD: | 13 | FractionCSP3: | 0.92 |
| AlogP: | -2.43 | Num_rotatable_bonds: | 15 |
| MolWt: | 1077.22 | Num_heavy_atoms: | 75 |
| TPSA: | 355.29 | NumAromaticRings: | 0 |
Unique Aglycone
AD46490
Formula: C28H44O4
Smiles:
COC1(C)C(=CCC(C)CO)OC2CC3C4CC=C5CC(O)CCC5(C)C4CCC3(C)C21| HBA: | 4 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.86 |
| AlogP: | 5.24 | Num_rotatable_bonds: | 4 |
| MolWt: | 444.66 | Num_heavy_atoms: | 32 |
| TPSA: | 58.92 | NumAromaticRings: | 0 |
