Glycoside
GD029702
Name:
NoneFormula:
C54H78O15SSmiles:
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(Sc3ccccc3)[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(Sc3ccccc3)C3(O)COC4C(O)C(C)=CC(C(=O)O1)C43O)O2Sugarmoiety:
COC1CC(OC2C(C)OC(O)CC2OC)OC(C)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 8 |
| HBD: | 4 | FractionCSP3: | 0.72 |
| AlogP: | 6.34 | Num_rotatable_bonds: | 10 |
| MolWt: | 999.27 | Num_heavy_atoms: | 70 |
| TPSA: | 190.29 | NumAromaticRings: | 1 |
Unique Aglycone
AD19296
Formula: C40H54O9S
Smiles:
CCC(C)C1OC2(C=CC1C)CC1CC(CC=C(C)C(O)C(C)C=CC(Sc3ccccc3)C3(O)COC4C(O)C(C)=CC(C(=O)O1)C43O)O2| HBA: | 9 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.62 |
| AlogP: | 5.27 | Num_rotatable_bonds: | 4 |
| MolWt: | 710.93 | Num_heavy_atoms: | 50 |
| TPSA: | 134.91 | NumAromaticRings: | 1 |
