Glycoside
GD109234
Name:
NoneFormula:
C28H38O9NSmiles:
COC(=O)[C@H](O)[C@@](O)(CCC(C)C)C(=O)O[C@H]1C(OC)=C[C@]23CCC[N@@H+]2CCc2cc4c(cc2[C@@H]13)OCO4Aglycone:
CCC(C)C.COC1=CC23CCC[NH+]2CCc2cc4c(cc2C3C1)OCO4Sugarmoiety:
COC(=O)C(O)C(O)(O)C(=O)OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.64 |
| AlogP: | 0.63 | Num_rotatable_bonds: | 8 |
| MolWt: | 532.61 | Num_heavy_atoms: | 38 |
| TPSA: | 125.19 | NumAromaticRings: | 1 |
Unique Aglycone
AD00195
Formula: C5H12
Smiles:
CCC(C)C| HBA: | 0 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 1.0 |
| AlogP: | 2.05 | Num_rotatable_bonds: | 1 |
| MolWt: | 72.15 | Num_heavy_atoms: | 5 |
| TPSA: | 0.0 | NumAromaticRings: | 0 |
AD44532
Formula: C18H22O3N
Smiles:
COC1=CC23CCC[NH+]2CCc2cc4c(cc2C3C1)OCO4| HBA: | 4 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 0.56 |
| AlogP: | 1.41 | Num_rotatable_bonds: | 1 |
| MolWt: | 300.38 | Num_heavy_atoms: | 22 |
| TPSA: | 32.13 | NumAromaticRings: | 1 |
