Glycoside
GD145872
Name:
4,5-dihydroxy-2-({7-hydroxy-4,8,11b-trimethyl-9-oxo-1H,2H,3H,4H,4aH,5H,6H,7H,9H,10aH,11H,11bH-phenanthro[3,2-b]furan-4-yl}methoxy)-6-(hydroxymethyl)oxan-3-yl 4-hydroxy-3,5-dimethoxybenzoateFormula:
C35H46O13Smiles:
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(CC3=C(CCC4C(C)(CO)CCCC34C)C2O)OC1=O.COc1cc(C(=O)O)cc(OC)c1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 0.66 |
| AlogP: | 2.3 | Num_rotatable_bonds: | 8 |
| MolWt: | 674.74 | Num_heavy_atoms: | 48 |
| TPSA: | 190.67 | 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 |
AD58526
Formula: C20H28O4
Smiles:
CC1=C2C(CC3=C(CCC4C(C)(CO)CCCC34C)C2O)OC1=O| HBA: | 4 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.75 |
| AlogP: | 2.89 | Num_rotatable_bonds: | 1 |
| MolWt: | 332.44 | Num_heavy_atoms: | 24 |
| TPSA: | 66.76 | NumAromaticRings: | 0 |
