Glycoside
GD131445
Name:
33-[(4-amino-3,5-dihydroxy-6-methyloxan-2-yl)oxy]-15-ethyl-1,3,5,9,11,17,37-heptahydroxy-16,18-dimethyl-13-oxo-14,39-dioxabicyclo[33.3.1]nonatriaconta-19,21,23,25,27,29,31-heptaene-36-carboxylic acidFormula:
C48H75O16NSmiles:
CCC1OC(=O)CC(O)CC(O)CCCC(O)CC(O)CC2(O)CC(O)C(C(=O)O)C(CC(OC3OC(C)C(O)C(N)C3O)C=CC=CC=CC=CC=CC=CC=CC(C)C(O)C1C)O2Aglycone:
CCC1OC(=O)CC(O)CC(O)CCCC(O)CC(O)CC2(O)CC(O)C(C(=O)O)C(CC(O)C=CC=CC=CC=CC=CC=CC=CC(C)C(O)C1C)O2Sugarmoiety:
CC1OC(O)C(O)C(N)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 3 |
| HBD: | 12 | FractionCSP3: | 0.67 |
| AlogP: | 2.13 | Num_rotatable_bonds: | 4 |
| MolWt: | 922.12 | Num_heavy_atoms: | 65 |
| TPSA: | 299.38 | NumAromaticRings: | 0 |
Unique Aglycone
AD53254
Formula: C42H64O13
Smiles:
CCC1OC(=O)CC(O)CC(O)CCCC(O)CC(O)CC2(O)CC(O)C(C(=O)O)C(CC(O)C=CC=CC=CC=CC=CC=CC=CC(C)C(O)C1C)O2| HBA: | 13 | RingCount: | 2 |
| HBD: | 9 | FractionCSP3: | 0.62 |
| AlogP: | 3.31 | Num_rotatable_bonds: | 2 |
| MolWt: | 776.96 | Num_heavy_atoms: | 55 |
| TPSA: | 234.67 | NumAromaticRings: | 0 |
