Glycoside
GD032155
Name:
3-({4,5-dihydroxy-6-methyl-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl}oxy)-8-hydroxy-15-methyl-11,18-dioxapentacyclo[10.6.2.0²,â·.0â¹,¹â¹.0¹â¶,²â°]icosa-1(19),2,4,6,8,12(20),13,15-octaene-10,17-dioneFormula:
C31H30O14Smiles:
Cc1ccc2oc(=O)c3c(O)c4cccc(O[C@@H]5O[C@H](C)[C@H](O)[C@H](O)[C@H]5O[C@@H]5O[C@H](C)[C@H](O)[C@H](O)[C@H]5O)c4c4oc(=O)c1c2c34Aglycone:
Cc1ccc2oc(=O)c3c(O)c4cccc(O)c4c4oc(=O)c1c2c34Sugarmoiety:
CC1OC(OC2C(O)OC(C)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 7 |
| HBD: | 6 | FractionCSP3: | 0.42 |
| AlogP: | 0.72 | Num_rotatable_bonds: | 4 |
| MolWt: | 626.57 | Num_heavy_atoms: | 45 |
| TPSA: | 218.72 | NumAromaticRings: | 5 |
Unique Aglycone
AD02915
Formula: C19H10O6
Smiles:
Cc1ccc2oc(=O)c3c(O)c4cccc(O)c4c4oc(=O)c1c2c34| HBA: | 6 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.05 |
| AlogP: | 3.36 | Num_rotatable_bonds: | 0 |
| MolWt: | 334.28 | Num_heavy_atoms: | 25 |
| TPSA: | 100.88 | NumAromaticRings: | 5 |
