Glycoside
GD026330
Name:
NoneFormula:
C50H80O15Smiles:
CCOC(=O)[C@@H]1C=C(C)[C@H](O)[C@@H]2OCC(=CC=C[C@H](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(C)=CC[C@@H]3C[C@H](O)C[C@]4(CC[C@H](C)[C@H]([C@H](C)CC)O4)O3)[C@@]21OAglycone:
CCOC(=O)C1C=C(C)C(O)C2OCC(=CC=CC(C)C(O)C(C)=CCC3CC(O)CC4(CCC(C)C(C(C)CC)O4)O3)C12OSugarmoiety:
COC1CC(OC2C(C)OC(O)CC2OC)OC(C)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.82 |
| AlogP: | 5.6 | Num_rotatable_bonds: | 16 |
| MolWt: | 921.17 | Num_heavy_atoms: | 65 |
| TPSA: | 190.29 | NumAromaticRings: | 0 |
Unique Aglycone
AD17360
Formula: C36H56O9
Smiles:
CCOC(=O)C1C=C(C)C(O)C2OCC(=CC=CC(C)C(O)C(C)=CCC3CC(O)CC4(CCC(C)C(C(C)CC)O4)O3)C12O| HBA: | 9 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.75 |
| AlogP: | 4.53 | Num_rotatable_bonds: | 10 |
| MolWt: | 632.84 | Num_heavy_atoms: | 45 |
| TPSA: | 134.91 | NumAromaticRings: | 0 |
