Glycoside
GD017239
Name:
NoneFormula:
C34H56O13SSmiles:
COC1([C@@H]2C=C3[C@H](O)C[C@@]4(O)C5[C@H](OS(=O)(=O)O)[C@H](O)[C@@H]([C@H](C)C=C[C@H](CO)C(C)C)[C@]5(C)CCC4[C@@]3(C)CC2)OCC(O)C(O)C1OAglycone:
CC(C)C(C=CC(C)C1C(O)C(OS(=O)(=O)O)C2C1(C)CCC1C3(C)CCCC=C3C(O)CC12O)COSugarmoiety:
COC1(O)OCC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.88 |
| AlogP: | 0.95 | Num_rotatable_bonds: | 9 |
| MolWt: | 704.88 | Num_heavy_atoms: | 48 |
| TPSA: | 223.67 | NumAromaticRings: | 0 |
Unique Aglycone
AD12323
Formula: C28H46O8S
Smiles:
CC(C)C(C=CC(C)C1C(O)C(OS(=O)(=O)O)C2C1(C)CCC1C3(C)CCCC=C3C(O)CC12O)CO| HBA: | 8 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.86 |
| AlogP: | 3.27 | Num_rotatable_bonds: | 7 |
| MolWt: | 542.74 | Num_heavy_atoms: | 37 |
| TPSA: | 144.52 | NumAromaticRings: | 0 |
