Glycoside
GD016940
Name:
NoneFormula:
C30H40O9N2Smiles:
O=c1ccn(C2OC(COC3CCCCO3)C(OC3CCCCO3)C2OC2CCCCO2)c(=O)n1-c1ccccc1Aglycone:
COC1CCCCO1.O=c1cc[nH]c(=O)n1-c1ccccc1.OC1CCCCO1.OC1CCCCO1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 6 |
| HBD: | 0 | FractionCSP3: | 0.67 |
| AlogP: | 3.26 | Num_rotatable_bonds: | 9 |
| MolWt: | 572.66 | Num_heavy_atoms: | 41 |
| TPSA: | 108.61 | NumAromaticRings: | 2 |
Unique Aglycone
AD12143
Formula: C6H12O2
Smiles:
COC1CCCCO1| HBA: | 2 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 1.0 |
| AlogP: | 1.16 | Num_rotatable_bonds: | 1 |
| MolWt: | 116.16 | Num_heavy_atoms: | 8 |
| TPSA: | 18.46 | NumAromaticRings: | 0 |
AD12144
Formula: C10H8O2N2
Smiles:
O=c1cc[nH]c(=O)n1-c1ccccc1| HBA: | 4 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 0.53 | Num_rotatable_bonds: | 1 |
| MolWt: | 188.19 | Num_heavy_atoms: | 14 |
| TPSA: | 54.86 | NumAromaticRings: | 2 |
AD12145
Formula: C5H10O2
Smiles:
OC1CCCCO1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 1.0 |
| AlogP: | 0.51 | Num_rotatable_bonds: | 0 |
| MolWt: | 102.13 | Num_heavy_atoms: | 7 |
| TPSA: | 29.46 | NumAromaticRings: | 0 |
