Glycoside
GD141649
Name:
10-hydroxy-4,5,9,13,19,20-hexamethyl-9-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-22,25-dioxaheptacyclo[18.3.2.0¹,¹â¸.0â´,¹â·.0âµ,¹â´.0â¸,¹³.0²¹,²³]pentacosan-24-oneFormula:
C36H56O10Smiles:
CC1C2C3CCC4C5(C)CCC(O)C(C)(COC6OC(CO)C(O)C(O)C6O)C5CCC4(C)C3(C)CCC23C(=O)OC1(C)C1OC13Aglycone:
CC1C2C3CCC4C5(C)CCC(O)C(C)(CO)C5CCC4(C)C3(C)CCC23C(=O)OC1(C)C1OC13Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 9 |
| HBD: | 5 | FractionCSP3: | 0.97 |
| AlogP: | 2.55 | Num_rotatable_bonds: | 4 |
| MolWt: | 648.83 | Num_heavy_atoms: | 46 |
| TPSA: | 158.44 | NumAromaticRings: | 0 |
Unique Aglycone
AD57051
Formula: C30H46O5
Smiles:
CC1C2C3CCC4C5(C)CCC(O)C(C)(CO)C5CCC4(C)C3(C)CCC23C(=O)OC1(C)C1OC13| HBA: | 5 | RingCount: | 8 |
| HBD: | 2 | FractionCSP3: | 0.97 |
| AlogP: | 4.72 | Num_rotatable_bonds: | 1 |
| MolWt: | 486.69 | Num_heavy_atoms: | 35 |
| TPSA: | 79.29 | NumAromaticRings: | 0 |
