Glycoside
GD130842
Name:
NoneFormula:
C38H38O13N2Smiles:
Nc1ccc(CCOc2ccc(-c3cc(=O)c4c(O)c(OC5(c6cccc(O)c6)CCCC5)c(OC5OC(C(=O)O)C(O)C(O)C5O)cc4o3)cc2)[nH]1Aglycone:
Nc1ccc(CCOc2ccc(-c3cc(=O)c4c(O)c(OC5(c6cccc(O)c6)CCCC5)c(O)cc4o3)cc2)[nH]1Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 7 |
| HBD: | 9 | FractionCSP3: | 0.32 |
| AlogP: | 3.52 | Num_rotatable_bonds: | 11 |
| MolWt: | 730.72 | Num_heavy_atoms: | 53 |
| TPSA: | 247.39 | NumAromaticRings: | 5 |
Unique Aglycone
AD53017
Formula: C32H30O7N2
Smiles:
Nc1ccc(CCOc2ccc(-c3cc(=O)c4c(O)c(OC5(c6cccc(O)c6)CCCC5)c(O)cc4o3)cc2)[nH]1| HBA: | 9 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.22 |
| AlogP: | 5.96 | Num_rotatable_bonds: | 8 |
| MolWt: | 554.6 | Num_heavy_atoms: | 41 |
| TPSA: | 151.17 | NumAromaticRings: | 5 |
