Glycoside
GD148869
Name:
5,12-naphthacenedione, 10-[(2,6-dideoxy-α-l-lyxo-hexopyranosyl)oxy]-8-ethyl-7,8,9,10-tetrahydro-1,6,7,8,11-pentahydroxy-, (7r,8r,10s)-Formula:
C26H28O11Smiles:
CCC1(O)CC(OC2CC(O)C(O)C(C)O2)c2c(O)c3c(c(O)c2C1O)C(=O)c1cccc(O)c1C3=OAglycone:
CCC1(O)CC(O)c2c(O)c3c(c(O)c2C1O)C(=O)c1cccc(O)c1C3=OSugarmoiety:
CC1OC(O)CC(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.46 |
| AlogP: | 1.07 | Num_rotatable_bonds: | 3 |
| MolWt: | 516.5 | Num_heavy_atoms: | 37 |
| TPSA: | 194.21 | NumAromaticRings: | 2 |
Unique Aglycone
AD01641
Formula: C20H18O8
Smiles:
CCC1(O)CC(O)c2c(O)c3c(c(O)c2C1O)C(=O)c1cccc(O)c1C3=O| HBA: | 8 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.3 |
| AlogP: | 1.19 | Num_rotatable_bonds: | 1 |
| MolWt: | 386.36 | Num_heavy_atoms: | 28 |
| TPSA: | 155.52 | NumAromaticRings: | 2 |
