Glycoside
GD137819
Name:
10-[(4,5-dihydroxy-6-methyloxan-2-yl)oxy]-6,7,8,11-tetrahydroxy-8-(hydroxymethyl)-5,7,8,9,10,12-hexahydrotetracene-5,12-dioneFormula:
C25H26O11Smiles:
CC1OC(OC2CC(O)(CO)C(O)c3c(O)c4c(c(O)c32)C(=O)c2ccccc2C4=O)CC(O)C1OAglycone:
O=C1c2ccccc2C(=O)c2c(O)c3c(c(O)c21)C(O)CC(O)(CO)C3OSugarmoiety:
CC1OC(O)CC(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.44 |
| AlogP: | -0.05 | Num_rotatable_bonds: | 3 |
| MolWt: | 502.47 | Num_heavy_atoms: | 36 |
| TPSA: | 194.21 | NumAromaticRings: | 2 |
Unique Aglycone
AD55660
Formula: C19H16O8
Smiles:
O=C1c2ccccc2C(=O)c2c(O)c3c(c(O)c21)C(O)CC(O)(CO)C3O| HBA: | 8 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.26 |
| AlogP: | 0.07 | Num_rotatable_bonds: | 1 |
| MolWt: | 372.33 | Num_heavy_atoms: | 27 |
| TPSA: | 155.52 | NumAromaticRings: | 2 |
