Glycoside
GD014037
Name:
NoneFormula:
C28H24O11N4Smiles:
O=C(O)CNN1C(=O)c2c(c3c4cccc(O)c4n(C4OC(CO)C(O)C(O)C4O)c3c3[nH]c4c(O)cccc4c23)C1=OAglycone:
O=C(O)CNN1C(=O)c2c(c3c4cccc(O)c4[nH]c3c3[nH]c4c(O)cccc4c23)C1=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 7 |
| HBD: | 9 | FractionCSP3: | 0.25 |
| AlogP: | 0.0 | Num_rotatable_bonds: | 5 |
| MolWt: | 592.52 | Num_heavy_atoms: | 43 |
| TPSA: | 238.04 | NumAromaticRings: | 5 |
Unique Aglycone
AD10394
Formula: C22H14O6N4
Smiles:
O=C(O)CNN1C(=O)c2c(c3c4cccc(O)c4[nH]c3c3[nH]c4c(O)cccc4c23)C1=O| HBA: | 10 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.05 |
| AlogP: | 2.55 | Num_rotatable_bonds: | 3 |
| MolWt: | 430.38 | Num_heavy_atoms: | 32 |
| TPSA: | 158.75 | NumAromaticRings: | 5 |
