Glycoside
GD124435
Name:
22-[(5-amino-3,4-dihydroxy-6-methyloxan-2-yl)oxy]-4,6,8,10,12,18,20-heptahydroxy-38-{5-hydroxy-7-[4-(methylamino)phenyl]-7-oxoheptan-2-yl}-19,37-dimethyl-1-oxacyclooctatriaconta-23,25,27,29,31,33,35-heptaene-2,14,16-trioneFormula:
C59H88O17N2Smiles:
CNc1ccc(C(=O)CC(O)CCC(C)C2OC(=O)CC(O)CC(O)CC(O)CC(O)CC(O)CC(=O)CC(=O)CC(O)C(C)C(O)CC(OC3OC(C)C(N)C(O)C3O)C=CC=CC=CC=CC=CC=CC=CC2C)cc1Aglycone:
CNc1ccc(C(=O)CC(O)CCC(C)C2OC(=O)CC(O)CC(O)CC(O)CC(O)CC(O)CC(=O)CC(=O)CC(O)C(C)C(O)CC(O)C=CC=CC=CC=CC=CC=CC=CC2C)cc1Sugarmoiety:
CC1OC(O)C(O)C(O)C1NOther Identifiers
Properties
| HBA: | 19 | RingCount: | 3 |
| HBD: | 13 | FractionCSP3: | 0.59 |
| AlogP: | 3.52 | Num_rotatable_bonds: | 10 |
| MolWt: | 1097.35 | Num_heavy_atoms: | 78 |
| TPSA: | 336.32 | NumAromaticRings: | 1 |
Unique Aglycone
AD50264
Formula: C53H77O14N
Smiles:
CNc1ccc(C(=O)CC(O)CCC(C)C2OC(=O)CC(O)CC(O)CC(O)CC(O)CC(O)CC(=O)CC(=O)CC(O)C(C)C(O)CC(O)C=CC=CC=CC=CC=CC=CC=CC2C)cc1| HBA: | 15 | RingCount: | 2 |
| HBD: | 10 | FractionCSP3: | 0.55 |
| AlogP: | 4.71 | Num_rotatable_bonds: | 8 |
| MolWt: | 952.19 | Num_heavy_atoms: | 68 |
| TPSA: | 271.61 | NumAromaticRings: | 1 |
