Glycoside
GD142799
Name:
1,3,4,7-tetrahydroxy-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,2H,3H,4H,4aH,5H,6H,9H,11bH-[1,3]dioxolo[4,5-j]phenanthridin-6-oneFormula:
C20H25O13NSmiles:
OCC1OC(OC2C(O)C(O)C3N=C(O)c4c(cc5c(c4O)OCO5)C3C2O)C(O)C(O)C1OAglycone:
OC1=NC2C(O)C(O)C(O)C(O)C2c2cc3c(c(O)c21)OCO3Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 5 |
| HBD: | 9 | FractionCSP3: | 0.65 |
| AlogP: | -3.83 | Num_rotatable_bonds: | 3 |
| MolWt: | 487.41 | Num_heavy_atoms: | 34 |
| TPSA: | 231.35 | NumAromaticRings: | 1 |
Unique Aglycone
AD57460
Formula: C14H15O8N
Smiles:
OC1=NC2C(O)C(O)C(O)C(O)C2c2cc3c(c(O)c21)OCO3| HBA: | 9 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.5 |
| AlogP: | -1.65 | Num_rotatable_bonds: | 0 |
| MolWt: | 325.27 | Num_heavy_atoms: | 23 |
| TPSA: | 152.2 | NumAromaticRings: | 1 |
