Glycoside
GD147235
Name:
NoneFormula:
C31H35O13N3Smiles:
O=C(C=Cc1ccc(O)c(CC2=NCN=C2)c1)N1c2cc(OC3(O)OC(CO)C(O)C(O)C3O)c(O)cc2CC1(CCCO)C(=O)OAglycone:
O=C(C=Cc1ccc(O)c(CC2=NCN=C2)c1)N1c2cc(O)c(O)cc2CC1(CCCO)C(=O)OSugarmoiety:
OCC1OC(O)(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 5 |
| HBD: | 9 | FractionCSP3: | 0.42 |
| AlogP: | -1.18 | Num_rotatable_bonds: | 11 |
| MolWt: | 657.63 | Num_heavy_atoms: | 47 |
| TPSA: | 262.63 | NumAromaticRings: | 2 |
Unique Aglycone
AD44932
Formula: C25H25O7N3
Smiles:
O=C(C=Cc1ccc(O)c(CC2=NCN=C2)c1)N1c2cc(O)c(O)cc2CC1(CCCO)C(=O)O| HBA: | 10 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.28 |
| AlogP: | 2.03 | Num_rotatable_bonds: | 8 |
| MolWt: | 479.49 | Num_heavy_atoms: | 35 |
| TPSA: | 163.25 | NumAromaticRings: | 2 |
