Glycoside
GD157272
Name:
N-[4,5-dihydroxy-6-(hydroxymethyl)-2-({2,3,4-trihydroxy-6-oxo-1H,2H,3H,4H,4aH,5H,6H,9H,11bH-[1,3]dioxolo[4,5-j]phenanthridin-1-yl}oxy)oxan-3-yl]acetamideFormula:
C22H28O12N2Smiles:
CC(O)=NC1C(OC2C(O)C(O)C(O)C3N=C(O)c4cc5c(cc4C32)OCO5)OC(CO)C(O)C1OAglycone:
OC1=NC2C(O)C(O)C(O)C(O)C2c2cc3c(cc21)OCO3Sugarmoiety:
CC(O)=NC1C(O)OC(CO)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.64 |
| AlogP: | -2.55 | Num_rotatable_bonds: | 4 |
| MolWt: | 512.47 | Num_heavy_atoms: | 36 |
| TPSA: | 223.48 | NumAromaticRings: | 1 |
Unique Aglycone
AD62192
Formula: C14H15O7N
Smiles:
OC1=NC2C(O)C(O)C(O)C(O)C2c2cc3c(cc21)OCO3| HBA: | 8 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.5 |
| AlogP: | -1.36 | Num_rotatable_bonds: | 0 |
| MolWt: | 309.27 | Num_heavy_atoms: | 22 |
| TPSA: | 131.97 | NumAromaticRings: | 1 |
