Glycoside
GD132860
Name:
2-{[5,7-dihydroxy-1,1,4a-trimethyl-9-oxo-7-(propan-2-yl)-1,2,3,4,4a,5,6,7,8,9,10,10a-dodecahydrophenanthren-4-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl 3-(4-hydroxyphenyl)prop-2-enoateFormula:
C35H48O11Smiles:
CC(C)C1(O)CC2=C(C(O)C1)C1(C)C(OC3OC(CO)C(O)C(O)C3OC(=O)C=Cc3ccc(O)cc3)CCC(C)(C)C1CC2=OAglycone:
CC(C)C1(O)CC2=C(C(O)C1)C1(C)C(O)CCC(C)(C)C1CC2=O.O=C(O)C=Cc1ccc(O)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.66 |
| AlogP: | 2.4 | Num_rotatable_bonds: | 7 |
| MolWt: | 644.76 | Num_heavy_atoms: | 46 |
| TPSA: | 183.21 | NumAromaticRings: | 1 |
Unique Aglycone
AD00021
Formula: C9H8O3
Smiles:
O=C(O)C=Cc1ccc(O)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 1.49 | Num_rotatable_bonds: | 2 |
| MolWt: | 164.16 | Num_heavy_atoms: | 12 |
| TPSA: | 57.53 | NumAromaticRings: | 1 |
AD50127
Formula: C20H32O4
Smiles:
CC(C)C1(O)CC2=C(C(O)C1)C1(C)C(O)CCC(C)(C)C1CC2=O| HBA: | 4 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.85 |
| AlogP: | 2.6 | Num_rotatable_bonds: | 1 |
| MolWt: | 336.47 | Num_heavy_atoms: | 24 |
| TPSA: | 77.76 | NumAromaticRings: | 0 |
