Glycoside
GD156558
Name:
4,5-dihydroxy-6-({19-hydroxy-3,7,7,11,16,20,20-heptamethylpentacyclo[13.8.0.0³,¹².0â¶,¹¹.0¹â¶,²¹]tricos-1(23)-en-8-yl}oxy)oxan-3-yl 3-(4-hydroxyphenyl)prop-2-enoateFormula:
C44H64O8Smiles:
CC12CCC3C(C)(C)C(OC4OCC(OC(=O)C=Cc5ccc(O)cc5)C(O)C4O)CCC3(C)C1CCC1C(=CCC3C(C)(C)C(O)CCC13C)C2Aglycone:
CC12CCC3C(C)(C)C(O)CCC3(C)C1CCC1C(=CCC3C(C)(C)C(O)CCC13C)C2.O=C(O)C=Cc1ccc(O)cc1Sugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 7 |
| HBD: | 4 | FractionCSP3: | 0.75 |
| AlogP: | 7.57 | Num_rotatable_bonds: | 5 |
| MolWt: | 720.99 | Num_heavy_atoms: | 52 |
| TPSA: | 125.68 | NumAromaticRings: | 1 |
Unique Aglycone
AD00021
Formula: C9H8O3
Smiles:
O=C(O)C=Cc1ccc(O)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 1.49 | Num_rotatable_bonds: | 2 |
| MolWt: | 164.16 | Num_heavy_atoms: | 12 |
| TPSA: | 57.53 | NumAromaticRings: | 1 |
AD53476
Formula: C30H50O2
Smiles:
CC12CCC3C(C)(C)C(O)CCC3(C)C1CCC1C(=CCC3C(C)(C)C(O)CCC13C)C2| HBA: | 2 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.93 |
| AlogP: | 7.14 | Num_rotatable_bonds: | 0 |
| MolWt: | 442.73 | Num_heavy_atoms: | 32 |
| TPSA: | 40.46 | NumAromaticRings: | 0 |
