Glycoside
GD033008
Name:
NoneFormula:
C35H52O13Smiles:
COC(=O)C(C)=C1C(=O)C[C@@H]2[C@@H]3CC=C4C[C@H](O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O[C@@H]5O[C@H](C)[C@H](O)[C@H](O)[C@H]5O)CC[C@@]4(C)[C@H]3CC[C@]12CAglycone:
COC(=O)C(C)=C1C(=O)CC2C3CC=C4CC(O)CCC4(C)C3CCC12CSugarmoiety:
CC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.83 |
| AlogP: | 0.65 | Num_rotatable_bonds: | 6 |
| MolWt: | 680.79 | Num_heavy_atoms: | 48 |
| TPSA: | 201.67 | NumAromaticRings: | 0 |
Unique Aglycone
AD21101
Formula: C23H32O4
Smiles:
COC(=O)C(C)=C1C(=O)CC2C3CC=C4CC(O)CCC4(C)C3CCC12C| HBA: | 4 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.74 |
| AlogP: | 3.98 | Num_rotatable_bonds: | 1 |
| MolWt: | 372.51 | Num_heavy_atoms: | 27 |
| TPSA: | 63.6 | NumAromaticRings: | 0 |
