Glycoside
GD129657
Name:
20-[(4-amino-3,5-dihydroxy-6-methyloxan-2-yl)oxy]-2,4,6,9,10,12,14,16,18,36-decahydroxy-35,37,38-trimethyl-1-oxacyclooctatriacontane-17-carboxylic acidFormula:
C47H91O17NSmiles:
CC1CCCCCCCCCCCCCCC(OC2OC(C)C(O)C(N)C2O)CC(O)C(C(=O)O)C(O)CC(O)CC(O)CC(O)C(O)CCC(O)CC(O)CC(O)OC(C)C(C)C1OAglycone:
CC1CCCCCCCCCCCCCCC(O)CC(O)C(C(=O)O)C(O)CC(O)CC(O)CC(O)C(O)CCC(O)CC(O)CC(O)OC(C)C(C)C1OSugarmoiety:
CC1OC(O)C(O)C(N)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 2 |
| HBD: | 15 | FractionCSP3: | 0.98 |
| AlogP: | 1.71 | Num_rotatable_bonds: | 3 |
| MolWt: | 942.24 | Num_heavy_atoms: | 65 |
| TPSA: | 333.77 | NumAromaticRings: | 0 |
Unique Aglycone
AD52525
Formula: C41H80O14
Smiles:
CC1CCCCCCCCCCCCCCC(O)CC(O)C(C(=O)O)C(O)CC(O)CC(O)CC(O)C(O)CCC(O)CC(O)CC(O)OC(C)C(C)C1O| HBA: | 14 | RingCount: | 1 |
| HBD: | 12 | FractionCSP3: | 0.98 |
| AlogP: | 2.89 | Num_rotatable_bonds: | 1 |
| MolWt: | 797.08 | Num_heavy_atoms: | 55 |
| TPSA: | 269.06 | NumAromaticRings: | 0 |
