Glycoside
GD016821
Name:
NoneFormula:
C50H66O12NClSmiles:
CCC(C)[C@@H]1O[C@@]2(CC[C@H]1C)C[C@@H]1C[C@H](CC=C(C)[C@H](O[C@@H]3C[C@H](OC)[C@H](OC(=O)c4ccc(Cl)cc4)[C@H](C)O3)[C@H](C)C=CC=C3CO[C@@H]4C(=NOC)C(C)=C[C@H](C(=O)O1)[C@]34O)O2Aglycone:
CCC(C)C1OC2(CCC1C)CC1CC(CC=C(C)C(O)C(C)C=CC=C3COC4C(=NOC)C(C)=CC(C(=O)O1)C34O)O2.O=C(O)c1ccc(Cl)cc1Sugarmoiety:
COC1CC(O)OC(C)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 7 |
| HBD: | 1 | FractionCSP3: | 0.65 |
| AlogP: | 8.23 | Num_rotatable_bonds: | 8 |
| MolWt: | 896.52 | Num_heavy_atoms: | 63 |
| TPSA: | 149.8 | NumAromaticRings: | 1 |
Unique Aglycone
AD02410
Formula: C8H5O2Cl
Smiles:
O=C(O)c1ccc(Cl)cc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 2.04 | Num_rotatable_bonds: | 1 |
| MolWt: | 156.57 | Num_heavy_atoms: | 10 |
| TPSA: | 37.3 | NumAromaticRings: | 1 |
AD04811
Formula: C35H51O8N
Smiles:
CCC(C)C1OC2(CCC1C)CC1CC(CC=C(C)C(O)C(C)C=CC=C3COC4C(=NOC)C(C)=CC(C(=O)O1)C34O)O2| HBA: | 9 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.71 |
| AlogP: | 5.17 | Num_rotatable_bonds: | 3 |
| MolWt: | 613.79 | Num_heavy_atoms: | 44 |
| TPSA: | 116.04 | NumAromaticRings: | 0 |
