Glycoside
GD019598
Name:
10-[(4,5-dihydroxy-3-methoxy-6-methyloxan-2-yl)oxy]-1,8,11-trihydroxy-8-methyl-5,7,8,9,10,12-hexahydrotetracene-5,12-dioneFormula:
C26H28O10Smiles:
CO[C@@H]1[C@H](O[C@@H]2C[C@@](C)(O)Cc3cc4c(c(O)c32)C(=O)c2c(O)cccc2C4=O)O[C@H](C)[C@H](O)[C@H]1OAglycone:
CC1(O)Cc2cc3c(c(O)c2C(O)C1)C(=O)c1c(O)cccc1C3=OSugarmoiety:
COC1C(O)OC(C)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.46 |
| AlogP: | 1.11 | Num_rotatable_bonds: | 3 |
| MolWt: | 500.5 | Num_heavy_atoms: | 36 |
| TPSA: | 162.98 | NumAromaticRings: | 2 |
Unique Aglycone
AD00516
Formula: C19H16O6
Smiles:
CC1(O)Cc2cc3c(c(O)c2C(O)C1)C(=O)c1c(O)cccc1C3=O| HBA: | 6 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.26 |
| AlogP: | 1.6 | Num_rotatable_bonds: | 0 |
| MolWt: | 340.33 | Num_heavy_atoms: | 25 |
| TPSA: | 115.06 | NumAromaticRings: | 2 |
