Glycoside
GD128011
Name:
3Beta-O-{Beta-D-Xylopyranosyl-(1-2)-[Beta-D-Glucopyranosyl-(1-4)]-Beta-D-+Formula:
C64H104O31Smiles:
CC1OC(OC(=O)C23CCC(C)(C)CC2C2=CCC4C5(C)CC(O)C(OC6OCC(OC7OC(CO)C(O)C(O)C7O)C(O)C6OC6OCC(O)C(O)C6O)C(C)(C)C5CCC4(C)C2(C)CC3)C(OC2OC(COC3OC(CO)C(O)C(O)C3O)C(O)C(O)C2O)C(O)C1OAglycone:
CC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(C)C5CCC43C)C2C1Sugarmoiety:
CC1OC(O)C(OC2OC(COC3OC(CO)C(O)C(O)C3O)C(O)C(O)C2O)C(O)C1O.OCC1OC(OC2COC(O)C(OC3OCC(O)C(O)C3O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 31 | RingCount: | 11 |
| HBD: | 18 | FractionCSP3: | 0.95 |
| AlogP: | -5.11 | Num_rotatable_bonds: | 15 |
| MolWt: | 1369.51 | Num_heavy_atoms: | 95 |
| TPSA: | 491.97 | NumAromaticRings: | 0 |
Unique Aglycone
AD03514
Formula: C30H48O4
Smiles:
CC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CC(O)C(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
SD06863
CC1OC(O)C(OC2OC(COC3OC(CO)C(O)C(O)C3O)C(O)C(O)C2O)C(O)C1O.OCC1OC(OC2COC(O)C(OC3OCC(O)C(O)C3O)C2O)C(O)C(O)C1O