Glycoside
GD153270
Name:
3-(3,4-dihydroxy-1-methoxy-2-oxopentyl)-5-[(4,5-dihydroxy-6-methyloxan-2-yl)oxy]-2,6,8,9-tetrahydroxy-7-methyl-1,2,3,4-tetrahydroanthracen-1-oneFormula:
C27H34O13Smiles:
COC(C(=O)C(O)C(C)O)C1Cc2cc3c(OC4CC(O)C(O)C(C)O4)c(O)c(C)c(O)c3c(O)c2C(=O)C1OAglycone:
Cc1c(O)c(O)c2cc3c(c(O)c2c1O)C(=O)C(O)CC3Sugarmoiety:
CC1OC(O)CC(O)C1O.COC(O)C(=O)C(O)C(C)OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.56 |
| AlogP: | -0.46 | Num_rotatable_bonds: | 7 |
| MolWt: | 566.56 | Num_heavy_atoms: | 40 |
| TPSA: | 223.67 | NumAromaticRings: | 2 |
Unique Aglycone
AD60972
Formula: C15H14O6
Smiles:
Cc1c(O)c(O)c2cc3c(c(O)c2c1O)C(=O)C(O)CC3| HBA: | 6 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.27 |
| AlogP: | 1.46 | Num_rotatable_bonds: | 0 |
| MolWt: | 290.27 | Num_heavy_atoms: | 21 |
| TPSA: | 118.22 | NumAromaticRings: | 2 |
