Glycoside
GD132689
Name:
NoneFormula:
C38H39O13N2Smiles:
NC1=C[CH+]C(CCOc2ccc(C3C=C(O)c4c(cc(OC5OC(C(=O)O)C(O)C(O)C5O)c(OC5(c6cccc(O)c6)CCCC5)c4O)O3)cc2)=N1Aglycone:
NC1=C[CH+]C(CCOc2ccc(C3C=C(O)c4c(cc(O)c(OC5(c6cccc(O)c6)CCCC5)c4O)O3)cc2)=N1Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 7 |
| HBD: | 9 | FractionCSP3: | 0.34 |
| AlogP: | 3.48 | Num_rotatable_bonds: | 11 |
| MolWt: | 731.73 | Num_heavy_atoms: | 53 |
| TPSA: | 243.21 | NumAromaticRings: | 3 |
Unique Aglycone
AD45985
Formula: C32H31O7N2
Smiles:
NC1=C[CH+]C(CCOc2ccc(C3C=C(O)c4c(cc(O)c(OC5(c6cccc(O)c6)CCCC5)c4O)O3)cc2)=N1| HBA: | 9 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.25 |
| AlogP: | 5.91 | Num_rotatable_bonds: | 8 |
| MolWt: | 555.61 | Num_heavy_atoms: | 41 |
| TPSA: | 146.99 | NumAromaticRings: | 3 |
