Glycoside
GD124341
Name:
3-hydroxycarda-14,16,20(22)-trienolide; (3β,5β)-form, 3-o-[β-d-xylopyranosyl-(1->2)-β-d-galactopyranoside]Formula:
C34H48O12Smiles:
CC12CCC3C(CCC4CC(OC5OC(CO)C(O)C(O)C5OC5OCC(O)C(O)C5O)CCC43C)C1=CC=C2C1=CC(=O)OC1Aglycone:
CC12CCC3C(CCC4CC(O)CCC43C)C1=CC=C2C1=CC(=O)OC1Sugarmoiety:
OCC1OC(O)C(OC2OCC(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 7 |
| HBD: | 6 | FractionCSP3: | 0.79 |
| AlogP: | 0.62 | Num_rotatable_bonds: | 6 |
| MolWt: | 648.75 | Num_heavy_atoms: | 46 |
| TPSA: | 184.6 | NumAromaticRings: | 0 |
Unique Aglycone
AD50225
Formula: C23H30O3
Smiles:
CC12CCC3C(CCC4CC(O)CCC43C)C1=CC=C2C1=CC(=O)OC1| HBA: | 3 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 0.7 |
| AlogP: | 4.33 | Num_rotatable_bonds: | 1 |
| MolWt: | 354.49 | Num_heavy_atoms: | 26 |
| TPSA: | 46.53 | NumAromaticRings: | 0 |
