Glycoside
GD118155
Name:
(4,4,5-trihydroxy-6-{[2,6,6,10-tetramethyl-7-oxo-15-(4,5,6-trihydroxy-6-methylheptan-2-yl)pentacyclo[12.3.1.0¹,¹â´.0²,¹¹.0âµ,¹â°]octadecan-3-yl]oxy}oxan-2-yl)methyl acetateFormula:
C38H62O11Smiles:
CC(=O)OCC1CC(O)(O)C(O)C(OC2CC3C(C)(C)C(=O)CCC3(C)C3CCC45CC4(CCC5C(C)CC(O)C(O)C(C)(C)O)C23C)O1Aglycone:
CC(CC(O)C(O)C(C)(C)O)C1CCC23CC12CCC1C2(C)CCC(=O)C(C)(C)C2CC(O)C13C.COC(C)=OSugarmoiety:
OC1CC(O)(O)C(O)C(O)O1Other Identifiers
Properties
| HBA: | 11 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.95 |
| AlogP: | 3.23 | Num_rotatable_bonds: | 9 |
| MolWt: | 694.9 | Num_heavy_atoms: | 49 |
| TPSA: | 183.21 | NumAromaticRings: | 0 |
Unique Aglycone
AD00017
Formula: C3H6O2
Smiles:
COC(C)=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.67 |
| AlogP: | 0.18 | Num_rotatable_bonds: | 0 |
| MolWt: | 74.08 | Num_heavy_atoms: | 5 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
AD00846
Formula: C30H50O5
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: | 4 | FractionCSP3: | 0.97 |
| AlogP: | 4.48 | Num_rotatable_bonds: | 5 |
| MolWt: | 490.73 | Num_heavy_atoms: | 35 |
| TPSA: | 97.99 | NumAromaticRings: | 0 |
