Glycoside
GD007346
Name:
NoneFormula:
C48H74O16Smiles:
CC[C@H](C)[C@@H]1O[C@@]2(C=C[C@H]1C)C[C@@H]1C[C@H](CC=C(C)[C@H](O[C@@H]3C[C@H](OC)[C@H](O[C@@H]4C[C@H](OC)[C@H](O)[C@H](C)O4)[C@H](C)O3)[C@H](C)C=CC(O)[C@]3(O)COC4[C@H](O)C(C)=C[C@H](C(=O)O1)[C@]43O)O2Aglycone:
CCC(C)C1OC2(C=CC1C)CC1CC(CC=C(C)C(O)C(C)C=CC(O)C3(O)COC4C(O)C(C)=CC(C(=O)O1)C43O)O2Sugarmoiety:
COC1CC(OC2C(C)OC(O)CC2OC)OC(C)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 7 |
| HBD: | 5 | FractionCSP3: | 0.81 |
| AlogP: | 3.54 | Num_rotatable_bonds: | 8 |
| MolWt: | 907.1 | Num_heavy_atoms: | 64 |
| TPSA: | 210.52 | NumAromaticRings: | 0 |
Unique Aglycone
AD05991
Formula: C34H50O10
Smiles:
CCC(C)C1OC2(C=CC1C)CC1CC(CC=C(C)C(O)C(C)C=CC(O)C3(O)COC4C(O)C(C)=CC(C(=O)O1)C43O)O2| HBA: | 10 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.74 |
| AlogP: | 2.47 | Num_rotatable_bonds: | 2 |
| MolWt: | 618.76 | Num_heavy_atoms: | 44 |
| TPSA: | 155.14 | NumAromaticRings: | 0 |
