Glycoside
GD114265
Name:
2-(hydroxymethyl)-6-{[2-methyl-6-(5,9,17,17-tetramethyl-16-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-18-oxapentacyclo[10.5.2.0¹,¹³.0â´,¹².0âµ,â¹]nonadec-2-en-8-yl)hept-2-en-4-yl]oxy}oxane-3,4,5-triolFormula:
C42H68O13Smiles:
CC(C)=CC(CC(C)C1CCC2(C)C3C=CC45OCC3(CCC12C)C4CCC(OC1OC(CO)C(O)C(O)C1O)C5(C)C)OC1OC(CO)C(O)C(O)C1OAglycone:
CC(C)=CC(O)CC(C)C1CCC2(C)C3C=CC45OCC3(CCC12C)C4CCC(O)C5(C)CSugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 7 |
| HBD: | 8 | FractionCSP3: | 0.9 |
| AlogP: | 1.94 | Num_rotatable_bonds: | 10 |
| MolWt: | 780.99 | Num_heavy_atoms: | 55 |
| TPSA: | 207.99 | NumAromaticRings: | 0 |
Unique Aglycone
AD44944
Formula: C30H48O3
Smiles:
CC(C)=CC(O)CC(C)C1CCC2(C)C3C=CC45OCC3(CCC12C)C4CCC(O)C5(C)C| HBA: | 3 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.87 |
| AlogP: | 6.29 | Num_rotatable_bonds: | 4 |
| MolWt: | 456.71 | Num_heavy_atoms: | 33 |
| TPSA: | 49.69 | NumAromaticRings: | 0 |
