Glycoside
GD127223
Name:
Ladyginoside DFormula:
C60H96O30Smiles:
CC1(C)CCC2(C(=O)OC3OC(COC4OC(CO)C(OC5OC(CO)C(O)C(O)C5O)C(O)C4O)C(O)C(O)C3O)CCC3(C)C(=CCC4C5(C)CCC(OC6OC(C(=O)O)C(OC7OC(CO)C(O)C(O)C7O)C(O)C6O)C(C)(CO)C5CCC43C)C2C1Aglycone:
CC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(CO)C5CCC43C)C2C1Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1O.OCC1OC(OC2C(CO)OC(OCC3OC(O)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 30 | RingCount: | 10 |
| HBD: | 18 | FractionCSP3: | 0.93 |
| AlogP: | -5.15 | Num_rotatable_bonds: | 16 |
| MolWt: | 1297.4 | Num_heavy_atoms: | 90 |
| TPSA: | 490.58 | NumAromaticRings: | 0 |
Unique Aglycone
AD00356
Formula: C30H48O4
Smiles:
CC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(CO)C5CCC43C)C2C1| HBA: | 4 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.9 |
| AlogP: | 6.21 | Num_rotatable_bonds: | 2 |
| MolWt: | 472.71 | Num_heavy_atoms: | 34 |
| TPSA: | 77.76 | NumAromaticRings: | 0 |
Sugarmoiety
SD06747
O=C(O)C1OC(O)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1O.OCC1OC(OC2C(CO)OC(OCC3OC(O)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O