Glycoside
GD149963
Name:
2-{[2-hydroxy-25-(4-hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl)-2,6,10,14,19,23-hexamethylpentacosa-4,6,8,10,12,14,16,18,20,22,24-undecaen-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C46H66O8Smiles:
CC(C=CC=C(C)C=CC=C(C)C=CC(OC1OC(CO)C(O)C(O)C1O)C(C)(C)O)=CC=CC=C(C)C=CC=C(C)C=CC1=C(C)CC(O)CC1(C)CAglycone:
CC(C=CC=C(C)C=CC=C(C)C=CC(O)C(C)(C)O)=CC=CC=C(C)C=CC=C(C)C=CC1=C(C)CC(O)CC1(C)CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.48 |
| AlogP: | 7.51 | Num_rotatable_bonds: | 16 |
| MolWt: | 747.03 | Num_heavy_atoms: | 54 |
| TPSA: | 139.84 | NumAromaticRings: | 0 |
Unique Aglycone
AD49976
Formula: C40H56O3
Smiles:
CC(C=CC=C(C)C=CC=C(C)C=CC(O)C(C)(C)O)=CC=CC=C(C)C=CC=C(C)C=CC1=C(C)CC(O)CC1(C)C| HBA: | 3 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.4 |
| AlogP: | 9.68 | Num_rotatable_bonds: | 13 |
| MolWt: | 584.89 | Num_heavy_atoms: | 43 |
| TPSA: | 60.69 | NumAromaticRings: | 0 |
