Glycoside
GD147295
Name:
2,4,4-trimethyl-6-[(3,4,5,6-tetrahydroxyoxan-2-yl)oxy]-3-(3,7,12,16-tetramethyl-18-{2,6,6-trimethyl-3-oxo-4-[(3,4,5,6-tetrahydroxyoxan-2-yl)oxy]cyclohex-1-en-1-yl}octadeca-1,3,5,7,9,11,13,15,17-nonaen-1-yl)cyclohex-2-en-1-oneFormula:
C50H68O14Smiles:
CC(C=CC=C(C)C=CC1=C(C)C(=O)C(OC2OC(O)C(O)C(O)C2O)CC1(C)C)=CC=CC=C(C)C=CC=C(C)C=CC1=C(C)C(=O)C(OC2OC(O)C(O)C(O)C2O)CC1(C)CAglycone:
CC(C=CC=C(C)C=CC1=C(C)C(=O)C(O)CC1(C)C)=CC=CC=C(C)C=CC=C(C)C=CC1=C(C)C(=O)C(O)CC1(C)CSugarmoiety:
OC1OC(O)C(O)C(O)C1O.OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.52 |
| AlogP: | 4.47 | Num_rotatable_bonds: | 14 |
| MolWt: | 893.08 | Num_heavy_atoms: | 64 |
| TPSA: | 232.9 | NumAromaticRings: | 0 |
Unique Aglycone
AD46730
Formula: C40H52O4
Smiles:
CC(C=CC=C(C)C=CC1=C(C)C(=O)C(O)CC1(C)C)=CC=CC=C(C)C=CC=C(C)C=CC1=C(C)C(=O)C(O)CC1(C)C| HBA: | 4 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.4 |
| AlogP: | 8.91 | Num_rotatable_bonds: | 10 |
| MolWt: | 596.85 | Num_heavy_atoms: | 44 |
| TPSA: | 74.6 | NumAromaticRings: | 0 |
