Glycoside
GD002856
Name:
2-{[7-hydroxy-2,6,6,10-tetramethyl-15-(4,5,6-trihydroxy-6-methylheptan-2-yl)pentacyclo[12.3.1.0¹,¹â´.0²,¹¹.0âµ,¹â°]octadecan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C36H62O10Smiles:
C[C@H](C[C@H](O)[C@H](O)C(C)(C)O)C1CC[C@@]23C[C@@]12CCC1[C@]2(C)CC[C@H](O)C(C)(C)C2C[C@H](OC2OC(CO)C(O)C(O)C2O)[C@]13CAglycone:
CC(CC(O)C(O)C(C)(C)O)C1CCC23CC12CCC1C2(C)CCC(O)C(C)(C)C2CC(O)C13CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 6 |
| HBD: | 8 | FractionCSP3: | 1.0 |
| AlogP: | 2.1 | Num_rotatable_bonds: | 8 |
| MolWt: | 654.88 | Num_heavy_atoms: | 46 |
| TPSA: | 180.3 | NumAromaticRings: | 0 |
Unique Aglycone
AD02673
Formula: C30H52O5
Smiles:
CC(CC(O)C(O)C(C)(C)O)C1CCC23CC12CCC1C2(C)CCC(O)C(C)(C)C2CC(O)C13C| HBA: | 5 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 1.0 |
| AlogP: | 4.28 | Num_rotatable_bonds: | 5 |
| MolWt: | 492.74 | Num_heavy_atoms: | 35 |
| TPSA: | 101.15 | NumAromaticRings: | 0 |
