Glycoside
GD029690
Name:
Plumbagoside DFormula:
C20H31O10N3Smiles:
CC1=C[C@H](C[C@H](C(=O)O)[C@@H]2CN(CC(O)CCO[C@@H]3OC[C@H](O)[C@H](O)[C@H]3O)C(=N)N2)OC1=OAglycone:
CC1=CC(CC(C(=O)O)C2CN(CC(O)CCO)C(=N)N2)OC1=OSugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.75 |
| AlogP: | -2.64 | Num_rotatable_bonds: | 10 |
| MolWt: | 473.48 | Num_heavy_atoms: | 33 |
| TPSA: | 202.1 | NumAromaticRings: | 0 |
Unique Aglycone
AD19290
Formula: C15H23O6N3
Smiles:
CC1=CC(CC(C(=O)O)C2CN(CC(O)CCO)C(=N)N2)OC1=O| HBA: | 9 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.67 |
| AlogP: | -1.1 | Num_rotatable_bonds: | 8 |
| MolWt: | 341.36 | Num_heavy_atoms: | 24 |
| TPSA: | 143.18 | NumAromaticRings: | 0 |
