Glycoside
GD021673
Name:
15-(4,5-dihydroxy-6-methylhept-6-en-2-yl)-2,6,6,10-tetramethyl-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}pentacyclo[12.3.1.0¹,¹â´.0²,¹¹.0âµ,¹â°]octadecan-7-yl acetateFormula:
C38H62O10Smiles:
C=C(C)[C@H](O)[C@H](O)C[C@H](C)C1CC[C@@]23C[C@@]12CCC1[C@]2(C)CC[C@H](OC(C)=O)C(C)(C)C2C[C@H](OC2OC(CO)C(O)C(O)C2O)[C@]13CAglycone:
C=C(C)C(O)C(O)CC(C)C1CCC23CC12CCC1C2(C)CCC(OC(C)=O)C(C)(C)C2CC(O)C13CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.92 |
| AlogP: | 3.48 | Num_rotatable_bonds: | 9 |
| MolWt: | 678.9 | Num_heavy_atoms: | 48 |
| TPSA: | 166.14 | NumAromaticRings: | 0 |
Unique Aglycone
AD07942
Formula: C32H52O5
Smiles:
C=C(C)C(O)C(O)CC(C)C1CCC23CC12CCC1C2(C)CCC(OC(C)=O)C(C)(C)C2CC(O)C13C| HBA: | 5 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.91 |
| AlogP: | 5.65 | Num_rotatable_bonds: | 6 |
| MolWt: | 516.76 | Num_heavy_atoms: | 37 |
| TPSA: | 86.99 | NumAromaticRings: | 0 |
