Glycoside
GD020130
Name:
NoneFormula:
C28H24O8N4Smiles:
COC1C(CO)OC(n2c3ccccc3c3c4c(c5c6ccccc6[nH]c5c32)C(=O)N(NC=O)C4=O)C(O)C1OAglycone:
O=CNN1C(=O)c2c(c3c4ccccc4[nH]c3c3[nH]c4ccccc4c23)C1=OSugarmoiety:
COC1C(CO)OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 7 |
| HBD: | 5 | FractionCSP3: | 0.25 |
| AlogP: | 1.31 | Num_rotatable_bonds: | 5 |
| MolWt: | 544.52 | Num_heavy_atoms: | 40 |
| TPSA: | 166.35 | NumAromaticRings: | 5 |
Unique Aglycone
AD13947
Formula: C21H12O3N4
Smiles:
O=CNN1C(=O)c2c(c3c4ccccc4[nH]c3c3[nH]c4ccccc4c23)C1=O| HBA: | 7 | RingCount: | 6 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | 3.21 | Num_rotatable_bonds: | 2 |
| MolWt: | 368.35 | Num_heavy_atoms: | 28 |
| TPSA: | 98.06 | NumAromaticRings: | 5 |
