Glycoside
GD151633
Name:
2-[hydroxy({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})methyl]-6-({1-[1,10,11-trihydroxy-9-(hydroxymethyl)-1,2,6a,6b,9,12a-hexamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicen-4a-yl]ethenyl}oxy)oxane-3,4,5-triolFormula:
C43H70O16Smiles:
C=C(OC1OC(C(O)OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O)C12CCC(C)C(C)(O)C1C1=CCC3C4(C)CC(O)C(O)C(C)(CO)C4CCC3(C)C1(C)CC2Aglycone:
C=C(O)C12CCC(C)C(C)(O)C1C1=CCC3C4(C)CC(O)C(O)C(C)(CO)C4CCC3(C)C1(C)CC2Sugarmoiety:
OCC1OC(OC(O)C2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 7 |
| HBD: | 12 | FractionCSP3: | 0.91 |
| AlogP: | -0.46 | Num_rotatable_bonds: | 8 |
| MolWt: | 843.02 | Num_heavy_atoms: | 59 |
| TPSA: | 279.68 | NumAromaticRings: | 0 |
Unique Aglycone
AD60449
Formula: C31H50O5
Smiles:
C=C(O)C12CCC(C)C(C)(O)C1C1=CCC3C4(C)CC(O)C(O)C(C)(CO)C4CCC3(C)C1(C)CC2| HBA: | 5 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.87 |
| AlogP: | 5.13 | Num_rotatable_bonds: | 2 |
| MolWt: | 502.74 | Num_heavy_atoms: | 36 |
| TPSA: | 101.15 | NumAromaticRings: | 0 |
