Glycoside
GD031743
Name:
NoneFormula:
C50H73O13NSmiles:
CCC(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]3CC(OC)[C@H](O[C@@H]4C[C@H](OC)[C@](O)(CC#N)[C@H](C)O4)[C@H](C)O3)[C@H](C)C=CC=C3CO[C@@H]4[C@H](O)C(C)=C[C@H](C1=O)[C@]34O)O2Aglycone:
CCC(C)C1OC2(C=CC1C)CC1CC(CC=C(C)C(O)C(C)C=CC=C3COC4C(O)C(C)=CC(C1=O)C34O)O2Sugarmoiety:
COC1CC(O)OC(C)C1OC1CC(OC)C(O)(CC#N)C(C)O1Other Identifiers
Properties
| HBA: | 14 | RingCount: | 7 |
| HBD: | 3 | FractionCSP3: | 0.76 |
| AlogP: | 5.93 | Num_rotatable_bonds: | 9 |
| MolWt: | 896.13 | Num_heavy_atoms: | 64 |
| TPSA: | 184.62 | NumAromaticRings: | 0 |
Unique Aglycone
AD20431
Formula: C34H48O7
Smiles:
CCC(C)C1OC2(C=CC1C)CC1CC(CC=C(C)C(O)C(C)C=CC=C3COC4C(O)C(C)=CC(C1=O)C34O)O2| HBA: | 7 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.68 |
| AlogP: | 4.58 | Num_rotatable_bonds: | 2 |
| MolWt: | 568.75 | Num_heavy_atoms: | 41 |
| TPSA: | 105.45 | NumAromaticRings: | 0 |
