Glycoside
GD003708
Name:
NoneFormula:
C52H76O16Smiles:
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](OC(C)=O)[C@H](C)O4)[C@H](C)O3)[C@H](C)C=CC=C3CO[C@@H]4[C@H](OC(C)=O)C(C)=C[C@H](C(=O)O1)[C@]34O)O2Aglycone:
CCC(C)C1OC2(C=CC1C)CC1CC(CC=C(C)C(O)C(C)C=CC=C3COC4C(OC(C)=O)C(C)=CC(C(=O)O1)C34O)O2Sugarmoiety:
COC1CC(OC2C(C)OC(O)CC2OC)OC(C)C1OC(C)=OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 7 |
| HBD: | 1 | FractionCSP3: | 0.75 |
| AlogP: | 6.52 | Num_rotatable_bonds: | 10 |
| MolWt: | 957.16 | Num_heavy_atoms: | 68 |
| TPSA: | 182.2 | NumAromaticRings: | 0 |
Unique Aglycone
AD03329
Formula: C36H50O9
Smiles:
CCC(C)C1OC2(C=CC1C)CC1CC(CC=C(C)C(O)C(C)C=CC=C3COC4C(OC(C)=O)C(C)=CC(C(=O)O1)C34O)O2| HBA: | 9 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.67 |
| AlogP: | 4.88 | Num_rotatable_bonds: | 3 |
| MolWt: | 626.79 | Num_heavy_atoms: | 45 |
| TPSA: | 120.75 | NumAromaticRings: | 0 |
