Glycoside
GD156186
Name:
44-(11-amino-4,8-dihydroxyundeca-1,5-dien-1-yl)-23-(but-3-en-1-yl)-16,18,30,32,34,38,40,42-octahydroxy-15,17,27-trimethyl-26-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-1-oxacyclotetratetraconta-5,7,9,11,13,19,23,35-octaene-2,28-dioneFormula:
C67H107O18NSmiles:
C=CCCC1=CCC(OC2OC(C)C(O)C(O)C2O)C(C)C(=O)CC(O)CC(O)CC(O)C=CCC(O)CC(O)CC(O)CC(C=CCC(O)C=CCC(O)CCCN)OC(=O)CCC=CC=CC=CC=CC=CC(C)C(O)C(C)C(O)C=CCC1Aglycone:
C=CCCC1=CCC(O)C(C)C(=O)CC(O)CC(O)CC(O)C=CCC(O)CC(O)CC(O)CC(C=CCC(O)C=CCC(O)CCCN)OC(=O)CCC=CC=CC=CC=CC=CC(C)C(O)C(C)C(O)C=CCC1Sugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 2 |
| HBD: | 15 | FractionCSP3: | 0.64 |
| AlogP: | 5.31 | Num_rotatable_bonds: | 14 |
| MolWt: | 1214.58 | Num_heavy_atoms: | 86 |
| TPSA: | 350.84 | NumAromaticRings: | 0 |
Unique Aglycone
AD61873
Formula: C61H97O14N
Smiles:
C=CCCC1=CCC(O)C(C)C(=O)CC(O)CC(O)CC(O)C=CCC(O)CC(O)CC(O)CC(C=CCC(O)C=CCC(O)CCCN)OC(=O)CCC=CC=CC=CC=CC=CC(C)C(O)C(C)C(O)C=CCC1| HBA: | 15 | RingCount: | 1 |
| HBD: | 13 | FractionCSP3: | 0.61 |
| AlogP: | 6.46 | Num_rotatable_bonds: | 12 |
| MolWt: | 1068.44 | Num_heavy_atoms: | 76 |
| TPSA: | 291.92 | NumAromaticRings: | 0 |
