Glycoside
GD128192
Name:
methyl 21-[(4-acetamido-3,5-dihydroxy-6-methyloxan-2-yl)oxy]-12-ethyl-1,3,5,6,25-pentahydroxy-11-methyl-9-oxo-10,27-dioxabicyclo[21.3.1]heptacosa-7,13,15,17,19-pentaene-24-carboxylateFormula:
C38H57O15NSmiles:
CCC1C=CC=CC=CC=CC(OC2OC(C)C(O)C(N=C(C)O)C2O)CC2OC(O)(CC(O)CC(O)C(O)C=CC(=O)OC1C)CC(O)C2C(=O)OCAglycone:
CCC1C=CC=CC=CC=CC(O)CC2OC(O)(CC(O)CC(O)C(O)C=CC(=O)OC1C)CC(O)C2C(=O)OCSugarmoiety:
CC(O)=NC1C(O)C(C)OC(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 3 |
| HBD: | 8 | FractionCSP3: | 0.66 |
| AlogP: | 0.82 | Num_rotatable_bonds: | 5 |
| MolWt: | 767.87 | Num_heavy_atoms: | 54 |
| TPSA: | 254.49 | NumAromaticRings: | 0 |
Unique Aglycone
AD51930
Formula: C30H44O11
Smiles:
CCC1C=CC=CC=CC=CC(O)CC2OC(O)(CC(O)CC(O)C(O)C=CC(=O)OC1C)CC(O)C2C(=O)OC| HBA: | 11 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.6 |
| AlogP: | 0.98 | Num_rotatable_bonds: | 2 |
| MolWt: | 580.67 | Num_heavy_atoms: | 41 |
| TPSA: | 183.21 | NumAromaticRings: | 0 |
