Glycoside
GD143636
Name:
6-{[5-(4,6-dimethyl-7-oxonon-5-en-2-yl)-1,7-dihydroxy-6,8,16,18-tetramethyl-3-oxo-4,21-dioxabicyclo[15.3.1]henicosa-9,15,18-trien-11-yl]oxy}-3-hydroxy-2-methyloxan-4-yl carbamateFormula:
C41H65O11NSmiles:
CCC(=O)C(C)=CC(C)CC(C)C1OC(=O)CC2(O)CC=C(C)C(O2)C(C)=CCCCC(OC2CC(OC(=N)O)C(O)C(C)O2)C=CC(C)C(O)C1CAglycone:
CCC(=O)C(C)=CC(C)CC(C)C1OC(=O)CC2(O)CC=C(C)C(O2)C(C)=CCCCC(O)C=CC(C)C(O)C1CSugarmoiety:
CC1OC(O)CC(OC(=N)O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.73 |
| AlogP: | 6.38 | Num_rotatable_bonds: | 9 |
| MolWt: | 747.97 | Num_heavy_atoms: | 53 |
| TPSA: | 185.06 | NumAromaticRings: | 0 |
Unique Aglycone
AD57759
Formula: C34H54O7
Smiles:
CCC(=O)C(C)=CC(C)CC(C)C1OC(=O)CC2(O)CC=C(C)C(O2)C(C)=CCCCC(O)C=CC(C)C(O)C1C| HBA: | 7 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.71 |
| AlogP: | 5.98 | Num_rotatable_bonds: | 6 |
| MolWt: | 574.8 | Num_heavy_atoms: | 41 |
| TPSA: | 113.29 | NumAromaticRings: | 0 |
