Glycoside

GD128750
Name:
6-{[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy}-14-ethyl-12,13-dihydroxy-4-[(5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl)oxy]-3-(hydroxymethyl)-7-methoxy-5,7,9,11,13-pentamethyl-1-oxacyclotetradecane-2,10-dioneFormula:
C38H69O14NSmiles:
CCC1OC(=O)C(CO)C(OC2CC(C)(OC)C(O)C(C)O2)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(OC)CC(C)C(=O)C(C)C(O)C1(C)OAglycone:
CCC1OC(=O)C(CO)C(O)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(OC)CC(C)C(=O)C(C)C(O)C1(C)OSugarmoiety:
COC1(C)CC(O)OC(C)C1OOther Identifiers
Properties
HBA: | 15 | RingCount: | 3 |
HBD: | 5 | FractionCSP3: | 0.95 |
AlogP: | 1.41 | Num_rotatable_bonds: | 9 |
MolWt: | 763.96 | Num_heavy_atoms: | 53 |
TPSA: | 203.14 | NumAromaticRings: | 0 |
Unique Aglycone
AD52149
Formula: C30H55O11N
Smiles:
CCC1OC(=O)C(CO)C(O)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(OC)CC(C)C(=O)C(C)C(O)C1(C)OHBA: | 12 | RingCount: | 2 |
HBD: | 5 | FractionCSP3: | 0.93 |
AlogP: | 0.49 | Num_rotatable_bonds: | 6 |
MolWt: | 605.77 | Num_heavy_atoms: | 42 |
TPSA: | 175.45 | NumAromaticRings: | 0 |