Glycoside

GD142007
Name:
9-[(5-{[5-(acetyloxy)-4-hydroxy-4,6-dimethyloxan-2-yl]oxy}-4-(dimethylamino)-6-methyloxan-2-yl)oxy]-13-hydroxy-8-methoxy-3,12-dimethyl-5-oxo-10-(2-oxoethyl)-4,17-dioxabicyclo[14.1.0]heptadec-14-en-7-yl propanoateFormula:
C40H65O15NSmiles:
CCC(=O)OC1CC(=O)OC(C)CC2OC2C=CC(O)C(C)CC(CC=O)C(OC2CC(N(C)C)C(OC3CC(C)(O)C(OC(C)=O)C(C)O3)C(C)O2)C1OCAglycone:
CCC(=O)OC1CC(=O)OC(C)CC2OC2C=CC(O)C(C)CC(CC=O)C(OC2CC(N(C)C)C(O)C(C)O2)C1OCSugarmoiety:
CC(=O)OC1C(C)OC(O)CC1(C)OOther Identifiers
Properties
HBA: | 16 | RingCount: | 4 |
HBD: | 2 | FractionCSP3: | 0.85 |
AlogP: | 2.62 | Num_rotatable_bonds: | 11 |
MolWt: | 799.95 | Num_heavy_atoms: | 56 |
TPSA: | 198.35 | NumAromaticRings: | 0 |
Unique Aglycone
AD47384
Formula: C31H51O11N
Smiles:
CCC(=O)OC1CC(=O)OC(C)CC2OC2C=CC(O)C(C)CC(CC=O)C(OC2CC(N(C)C)C(O)C(C)O2)C1OCHBA: | 12 | RingCount: | 3 |
HBD: | 2 | FractionCSP3: | 0.84 |
AlogP: | 1.78 | Num_rotatable_bonds: | 8 |
MolWt: | 613.75 | Num_heavy_atoms: | 43 |
TPSA: | 153.59 | NumAromaticRings: | 0 |