Glycoside
GD000880
Name:
NoneFormula:
C43H43O13N3Smiles:
C=C1Oc2cc(OC)cc(C(=O)O[C@@H]3COC(=O)C[C@H](N)c4ccc(c(O)c4)O[C@@H]4C#CC=C3C#CC3=CC=C[C@]34O[C@@H]3OC(C)(C)[C@H](N(C)C)[C@H](O)[C@H]3O)c2NC1=OAglycone:
C=C1Oc2cc(OC)cc(C(=O)OC3COC(=O)CC(N)c4ccc(c(O)c4)OC4C#CC=C3C#CC3=CC=CC34O)c2NC1=OSugarmoiety:
CN(C)C1C(O)C(O)C(O)OC1(C)COther Identifiers
Properties
| HBA: | 16 | RingCount: | 8 |
| HBD: | 6 | FractionCSP3: | 0.37 |
| AlogP: | 2.15 | Num_rotatable_bonds: | 6 |
| MolWt: | 809.83 | Num_heavy_atoms: | 59 |
| TPSA: | 217.8 | NumAromaticRings: | 2 |
Unique Aglycone
AD00918
Formula: C34H26O10N2
Smiles:
C=C1Oc2cc(OC)cc(C(=O)OC3COC(=O)CC(N)c4ccc(c(O)c4)OC4C#CC=C3C#CC3=CC=CC34O)c2NC1=O| HBA: | 12 | RingCount: | 7 |
| HBD: | 5 | FractionCSP3: | 0.21 |
| AlogP: | 2.34 | Num_rotatable_bonds: | 3 |
| MolWt: | 622.59 | Num_heavy_atoms: | 46 |
| TPSA: | 175.87 | NumAromaticRings: | 2 |
