Glycoside

GD153528
Name:
Platycodin D3Formula:
C63H102O33Smiles:
CC1OC(OC2C(OC(=O)C34CCC(C)(C)CC3C3=CCC5C6(C)CC(O)C(OC7OC(COC8OC(CO)C(O)C(O)C8O)C(O)C(O)C7O)C(CO)(CO)C6CCC5(C)C3(C)CC4O)OCC(O)C2O)C(O)C(O)C1OC1OCC(O)C(OC2OCC(O)(CO)C2O)C1OAglycone:
CC1(C)CCC2(C(=O)O)C(O)CC3(C)C(=CCC4C5(C)CC(O)C(O)C(CO)(CO)C5CCC43C)C2C1Sugarmoiety:
CC1OC(OC2C(O)OCC(O)C2O)C(O)C(O)C1OC1OCC(O)C(OC2OCC(O)(CO)C2O)C1O.OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
HBA: | 33 | RingCount: | 11 |
HBD: | 20 | FractionCSP3: | 0.95 |
AlogP: | -7.55 | Num_rotatable_bonds: | 17 |
MolWt: | 1387.48 | Num_heavy_atoms: | 96 |
TPSA: | 532.43 | NumAromaticRings: | 0 |
Unique Aglycone
AD12196
Formula: C30H48O7
Smiles:
CC1(C)CCC2(C(=O)O)C(O)CC3(C)C(=CCC4C5(C)CC(O)C(O)C(CO)(CO)C5CCC43C)C2C1HBA: | 7 | RingCount: | 5 |
HBD: | 6 | FractionCSP3: | 0.9 |
AlogP: | 3.12 | Num_rotatable_bonds: | 3 |
MolWt: | 520.71 | Num_heavy_atoms: | 37 |
TPSA: | 138.45 | NumAromaticRings: | 0 |
Sugarmoiety

SD06334
CC1OC(OC2C(O)OCC(O)C2O)C(O)C(O)C1OC1OCC(O)C(OC2OCC(O)(CO)C2O)C1O.OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1O