Glycoside
GD134005
Name:
1,4,6-trihydroxy-10-(5-hydroxy-4-{[4-({5-hydroxy-4-[(5-hydroxy-6-methyloxan-2-yl)oxy]-6-methyloxan-2-yl}oxy)-6-methyloxan-2-yl]oxy}-6-methyloxan-2-yl)-8-methyl-5,12-dihydrotetracene-5,12-dioneFormula:
C43H52O15Smiles:
Cc1cc(C2CC(OC3CC(OC4CC(OC5CCC(O)C(C)O5)C(O)C(C)O4)CC(C)O3)C(O)C(C)O2)c2cc3c(c(O)c2c1)C(=O)c1c(O)ccc(O)c1C3=OAglycone:
CC1OC(O)CCC1O.Cc1cc(C2CC(OC3CC(O)CC(C)O3)C(O)C(C)O2)c2cc3c(c(O)c2c1)C(=O)c1c(O)ccc(O)c1C3=OSugarmoiety:
CC1OC(O)CC(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 8 |
| HBD: | 6 | FractionCSP3: | 0.58 |
| AlogP: | 4.31 | Num_rotatable_bonds: | 7 |
| MolWt: | 808.87 | Num_heavy_atoms: | 58 |
| TPSA: | 220.13 | NumAromaticRings: | 3 |
Unique Aglycone
AD00171
Formula: C6H12O3
Smiles:
CC1OC(O)CCC1O| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | -0.14 | Num_rotatable_bonds: | 0 |
| MolWt: | 132.16 | Num_heavy_atoms: | 9 |
| TPSA: | 49.69 | NumAromaticRings: | 0 |
AD54213
Formula: C31H32O10
Smiles:
Cc1cc(C2CC(OC3CC(O)CC(C)O3)C(O)C(C)O2)c2cc3c(c(O)c2c1)C(=O)c1c(O)ccc(O)c1C3=O| HBA: | 10 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 0.42 |
| AlogP: | 3.52 | Num_rotatable_bonds: | 3 |
| MolWt: | 564.59 | Num_heavy_atoms: | 41 |
| TPSA: | 162.98 | NumAromaticRings: | 3 |
