Glycoside
GD117808
Name:
methyl 2-ethyl-2,5,7,10-tetrahydroxy-4-{[4-hydroxy-5-({5-[(5-hydroxy-6-methyloxan-2-yl)oxy]-6-methyloxan-2-yl}oxy)-6-methyloxan-2-yl]oxy}-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracene-1-carboxylateFormula:
C40H50O16Smiles:
CCC1(O)CC(OC2CC(O)C(OC3CCC(OC4CCC(O)C(C)O4)C(C)O3)C(C)O2)c2c(cc3c(c2O)C(=O)c2c(O)ccc(O)c2C3=O)C1C(=O)OCAglycone:
CC1OC(OC2CCC(O)OC2C)CCC1O.CCC1(O)CC(O)c2c(cc3c(c2O)C(=O)c2c(O)ccc(O)c2C3=O)C1C(=O)OCSugarmoiety:
CC1OC(O)CC(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 7 |
| HBD: | 6 | FractionCSP3: | 0.62 |
| AlogP: | 3.12 | Num_rotatable_bonds: | 8 |
| MolWt: | 786.82 | Num_heavy_atoms: | 56 |
| TPSA: | 237.2 | NumAromaticRings: | 2 |
Unique Aglycone
AD01640
Formula: C12H22O5
Smiles:
CC1OC(OC2CCC(O)OC2C)CCC1O| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | 0.77 | Num_rotatable_bonds: | 2 |
| MolWt: | 246.3 | Num_heavy_atoms: | 17 |
| TPSA: | 68.15 | NumAromaticRings: | 0 |
AD47022
Formula: C22H20O9
Smiles:
CCC1(O)CC(O)c2c(cc3c(c2O)C(=O)c2c(O)ccc(O)c2C3=O)C1C(=O)OC| HBA: | 9 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.32 |
| AlogP: | 1.41 | Num_rotatable_bonds: | 2 |
| MolWt: | 428.39 | Num_heavy_atoms: | 31 |
| TPSA: | 161.59 | NumAromaticRings: | 2 |
