Glycoside
GD130322
Name:
NoneFormula:
C35H38O10N2Smiles:
NC1=CC(CCC2(O)C(O)C(CO)OC(Oc3cccc4c3C(=O)C3C(O)=CC(Cc5cccc(CO)c5)=CC3C4=O)C2O)=CCN1Aglycone:
CCC1=CCNC(N)=C1.O=C1c2cccc(O)c2C(=O)C2C(O)=CC(Cc3cccc(CO)c3)=CC12Sugarmoiety:
OCC1OC(O)C(O)C(O)(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 6 |
| HBD: | 9 | FractionCSP3: | 0.37 |
| AlogP: | 1.07 | Num_rotatable_bonds: | 9 |
| MolWt: | 646.69 | Num_heavy_atoms: | 47 |
| TPSA: | 212.03 | NumAromaticRings: | 2 |
Unique Aglycone
AD44859
Formula: C7H12N2
Smiles:
CCC1=CCNC(N)=C1| HBA: | 2 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.43 |
| AlogP: | 0.73 | Num_rotatable_bonds: | 1 |
| MolWt: | 124.19 | Num_heavy_atoms: | 9 |
| TPSA: | 38.05 | NumAromaticRings: | 0 |
AD46377
Formula: C22H18O5
Smiles:
O=C1c2cccc(O)c2C(=O)C2C(O)=CC(Cc3cccc(CO)c3)=CC12| HBA: | 5 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.18 |
| AlogP: | 3.12 | Num_rotatable_bonds: | 3 |
| MolWt: | 362.38 | Num_heavy_atoms: | 27 |
| TPSA: | 94.83 | NumAromaticRings: | 2 |
