Glycoside
GD000821
Name:
NoneFormula:
C29H28O10N4Smiles:
O=C1c2c(c3c4cc(O)ccc4n(C4OC(CO)C(O)C(O)C4O)c3c3[nH]c4ccccc4c23)C(=O)N1NC(CO)COAglycone:
O=C1c2c(c3c4cc(O)ccc4[nH]c3c3[nH]c4ccccc4c23)C(=O)N1NC(CO)COSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 7 |
| HBD: | 9 | FractionCSP3: | 0.31 |
| AlogP: | -0.44 | Num_rotatable_bonds: | 6 |
| MolWt: | 592.56 | Num_heavy_atoms: | 43 |
| TPSA: | 220.97 | NumAromaticRings: | 5 |
Unique Aglycone
AD00858
Formula: C23H18O5N4
Smiles:
O=C1c2c(c3c4cc(O)ccc4[nH]c3c3[nH]c4ccccc4c23)C(=O)N1NC(CO)CO| HBA: | 9 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.13 |
| AlogP: | 2.12 | Num_rotatable_bonds: | 4 |
| MolWt: | 430.42 | Num_heavy_atoms: | 32 |
| TPSA: | 141.68 | NumAromaticRings: | 5 |
