Glycoside
GD135143
Name:
2-({4,8,11b-trimethyl-7,9-dioxo-1H,2H,3H,4H,4aH,5H,6H,7H,9H,10aH,11H,11bH-phenanthro[3,2-b]furan-4-yl}methoxy)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl 4-hydroxy-3,5-dimethoxybenzoateFormula:
C35H44O13Smiles:
COc1cc(C(=O)OC2C(OCC3(C)CCCC4(C)C5=C(CCC34)C(=O)C3=C(C)C(=O)OC3C5)OC(CO)C(O)C2O)cc(OC)c1OAglycone:
CC1=C2C(=O)C3=C(CC2OC1=O)C1(C)CCCC(C)(CO)C1CC3.COc1cc(C(=O)O)cc(OC)c1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.63 |
| AlogP: | 2.51 | Num_rotatable_bonds: | 8 |
| MolWt: | 672.72 | Num_heavy_atoms: | 48 |
| TPSA: | 187.51 | NumAromaticRings: | 1 |
Unique Aglycone
AD16068
Formula: C9H10O5
Smiles:
COc1cc(C(=O)O)cc(OC)c1O| HBA: | 5 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.22 |
| AlogP: | 1.11 | Num_rotatable_bonds: | 3 |
| MolWt: | 198.17 | Num_heavy_atoms: | 14 |
| TPSA: | 75.99 | NumAromaticRings: | 1 |
AD50360
Formula: C20H26O4
Smiles:
CC1=C2C(=O)C3=C(CC2OC1=O)C1(C)CCCC(C)(CO)C1CC3| HBA: | 4 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.7 |
| AlogP: | 3.1 | Num_rotatable_bonds: | 1 |
| MolWt: | 330.42 | Num_heavy_atoms: | 24 |
| TPSA: | 63.6 | NumAromaticRings: | 0 |
