Glycoside
GD119438
Name:
20-[(4-amino-3,5-dihydroxy-6-methyloxan-2-yl)oxy]-4,6,11,12,16,18,36-heptahydroxy-35,37,38-trimethyl-2,8,14-trioxo-1-oxacyclooctatriaconta-21,23,25,27,29,31,33-heptaene-17-carboxylic acidFormula:
C47H71O17NSmiles:
CC1C=CC=CC=CC=CC=CC=CC=CC(OC2OC(C)C(O)C(N)C2O)CC(O)C(C(=O)O)C(O)CC(=O)CC(O)C(O)CCC(=O)CC(O)CC(O)CC(=O)OC(C)C(C)C1OAglycone:
CC1C=CC=CC=CC=CC=CC=CC=CC(O)CC(O)C(C(=O)O)C(O)CC(=O)CC(O)C(O)CCC(=O)CC(O)CC(O)CC(=O)OC(C)C(C)C1OSugarmoiety:
CC1OC(O)C(O)C(N)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 2 |
| HBD: | 12 | FractionCSP3: | 0.62 |
| AlogP: | 0.76 | Num_rotatable_bonds: | 3 |
| MolWt: | 922.08 | Num_heavy_atoms: | 65 |
| TPSA: | 324.29 | NumAromaticRings: | 0 |
Unique Aglycone
AD47849
Formula: C41H60O14
Smiles:
CC1C=CC=CC=CC=CC=CC=CC=CC(O)CC(O)C(C(=O)O)C(O)CC(=O)CC(O)C(O)CCC(=O)CC(O)CC(O)CC(=O)OC(C)C(C)C1O| HBA: | 14 | RingCount: | 1 |
| HBD: | 9 | FractionCSP3: | 0.56 |
| AlogP: | 1.94 | Num_rotatable_bonds: | 1 |
| MolWt: | 776.92 | Num_heavy_atoms: | 55 |
| TPSA: | 259.58 | NumAromaticRings: | 0 |
