Glycoside
GD150401
Name:
ethyl 38-[7-(4-aminophenyl)-5-hydroxy-4-methyl-7-oxoheptan-2-yl]-22-{[4-(ethylamino)-3,5-dihydroxy-6-methyloxan-2-yl]oxy}-10,12,14,18,20-pentahydroxy-37-methyl-2,4,8,16-tetraoxo-1-oxacyclooctatriaconta-23,25,27,29,31,33,35-heptaene-19-carboxylateFormula:
C63H92O18N2Smiles:
CCNC1C(O)C(C)OC(OC2C=CC=CC=CC=CC=CC=CC=CC(C)C(C(C)CC(C)C(O)CC(=O)c3ccc(N)cc3)OC(=O)CC(=O)CCCC(=O)CC(O)CC(O)CC(O)CC(=O)CC(O)C(C(=O)OCC)C(O)C2)C1OAglycone:
CCOC(=O)C1C(O)CC(=O)CC(O)CC(O)CC(O)CC(=O)CCCC(=O)CC(=O)OC(C(C)CC(C)C(O)CC(=O)c2ccc(N)cc2)C(C)C=CC=CC=CC=CC=CC=CC=CC(O)CC1OSugarmoiety:
CCNC1C(O)C(C)OC(O)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 3 |
| HBD: | 11 | FractionCSP3: | 0.59 |
| AlogP: | 4.74 | Num_rotatable_bonds: | 13 |
| MolWt: | 1165.42 | Num_heavy_atoms: | 83 |
| TPSA: | 339.23 | NumAromaticRings: | 1 |
Unique Aglycone
AD60081
Formula: C55H77O15N
Smiles:
CCOC(=O)C1C(O)CC(=O)CC(O)CC(O)CC(O)CC(=O)CCCC(=O)CC(=O)OC(C(C)CC(C)C(O)CC(=O)c2ccc(N)cc2)C(C)C=CC=CC=CC=CC=CC=CC=CC(O)CC1O| HBA: | 16 | RingCount: | 2 |
| HBD: | 9 | FractionCSP3: | 0.53 |
| AlogP: | 5.27 | Num_rotatable_bonds: | 9 |
| MolWt: | 992.21 | Num_heavy_atoms: | 71 |
| TPSA: | 288.51 | NumAromaticRings: | 1 |
