Glycoside
GD009045
Name:
NoneFormula:
C29H28O13N4Smiles:
O=C1c2c(c3c4cc(O)cc(O)c4n(C4OC(CO)C(O)C(O)C4O)c3c3[nH]c4c(O)cc(O)cc4c23)C(=O)N1NC(CO)COAglycone:
O=C1c2c(c3c4cc(O)cc(O)c4[nH]c3c3[nH]c4c(O)cc(O)cc4c23)C(=O)N1NC(CO)COSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 7 |
| HBD: | 12 | FractionCSP3: | 0.31 |
| AlogP: | -1.32 | Num_rotatable_bonds: | 6 |
| MolWt: | 640.56 | Num_heavy_atoms: | 46 |
| TPSA: | 281.66 | NumAromaticRings: | 5 |
Unique Aglycone
AD07141
Formula: C23H18O8N4
Smiles:
O=C1c2c(c3c4cc(O)cc(O)c4[nH]c3c3[nH]c4c(O)cc(O)cc4c23)C(=O)N1NC(CO)CO| HBA: | 12 | RingCount: | 6 |
| HBD: | 9 | FractionCSP3: | 0.13 |
| AlogP: | 1.23 | Num_rotatable_bonds: | 4 |
| MolWt: | 478.42 | Num_heavy_atoms: | 35 |
| TPSA: | 202.37 | NumAromaticRings: | 5 |
