Glycoside
GD127219
Name:
,14-Dihydroxycarda-16,20(22)-Dienolide; (3β,5β,14β)-Form, 3-O-[β-D-Glucopyranosyl-(1->6)-β-D-Galactopyranoside]Formula:
C35H52O14Smiles:
CC12CCC(OC3OC(COC4OC(CO)C(O)C(O)C4O)C(O)C(O)C3O)CC1CCC1C2CCC2(C)C(C3=CC(=O)OC3)=CCC12OAglycone:
CC12CCC(O)CC1CCC1C2CCC2(C)C(C3=CC(=O)OC3)=CCC12OSugarmoiety:
OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 7 |
| HBD: | 8 | FractionCSP3: | 0.86 |
| AlogP: | -0.83 | Num_rotatable_bonds: | 7 |
| MolWt: | 696.79 | Num_heavy_atoms: | 49 |
| TPSA: | 225.06 | NumAromaticRings: | 0 |
Unique Aglycone
AD08280
Formula: C23H32O4
Smiles:
CC12CCC(O)CC1CCC1C2CCC2(C)C(C3=CC(=O)OC3)=CCC12O| HBA: | 4 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.78 |
| AlogP: | 3.52 | Num_rotatable_bonds: | 1 |
| MolWt: | 372.51 | Num_heavy_atoms: | 27 |
| TPSA: | 66.76 | NumAromaticRings: | 0 |
