Glycoside
GD117264
Name:
33-[(4-amino-3,5-dihydroxy-6-methyloxan-2-yl)oxy]-1,3,4,7,9,11,17,37-octahydroxy-15,16,18,36-tetramethyl-14,39-dioxabicyclo[33.3.1]nonatriaconta-19,21,25,27,29,31-hexaen-13-oneFormula:
C47H77O15NSmiles:
CC1C=CC=CCCC=CC=CC=CC=CC(OC2OC(C)C(O)C(N)C2O)CC2OC(O)(CC(O)C(O)CCC(O)CC(O)CC(O)CC(=O)OC(C)C(C)C1O)CC(O)C2CAglycone:
CC1C=CC=CCCC=CC=CC=CC=CC(O)CC2OC(O)(CC(O)C(O)CCC(O)CC(O)CC(O)CC(=O)OC(C)C(C)C1O)CC(O)C2CSugarmoiety:
CC1OC(O)C(O)C(N)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 3 |
| HBD: | 12 | FractionCSP3: | 0.72 |
| AlogP: | 1.87 | Num_rotatable_bonds: | 2 |
| MolWt: | 896.13 | Num_heavy_atoms: | 63 |
| TPSA: | 282.31 | NumAromaticRings: | 0 |
Unique Aglycone
AD46729
Formula: C41H66O12
Smiles:
CC1C=CC=CCCC=CC=CC=CC=CC(O)CC2OC(O)(CC(O)C(O)CCC(O)CC(O)CC(O)CC(=O)OC(C)C(C)C1O)CC(O)C2C| HBA: | 12 | RingCount: | 2 |
| HBD: | 9 | FractionCSP3: | 0.68 |
| AlogP: | 3.05 | Num_rotatable_bonds: | 0 |
| MolWt: | 750.97 | Num_heavy_atoms: | 53 |
| TPSA: | 217.6 | NumAromaticRings: | 0 |
