Glycoside
GD118975
Name:
9-[5-(carbamoyloxy)-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,16-trimethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1¹â°,¹â´.0³,âµ]hexacosa-10,12,14(26),16,18-pentaen-6-yl propanoateFormula:
C38H50O15N3ClSmiles:
CCC(=O)OC1CC(=O)N(C2OC(CO)C(OC(=N)O)C(O)C2O)c2cc(cc(OC)c2Cl)CC(C)=CC=CC(OC)C2(O)CC(OC(O)=N2)C(C)C2OC12CAglycone:
CCC(=O)OC1CC(=O)Nc2cc(cc(OC)c2Cl)CC(C)=CC=CC(OC)C2(O)CC(OC(O)=N2)C(C)C2OC12CSugarmoiety:
N=C(O)OC1C(CO)OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.62 |
| AlogP: | 1.97 | Num_rotatable_bonds: | 7 |
| MolWt: | 812.27 | Num_heavy_atoms: | 56 |
| TPSA: | 262.88 | NumAromaticRings: | 1 |
Unique Aglycone
AD46723
Formula: C31H39O9N2Cl
Smiles:
CCC(=O)OC1CC(=O)Nc2cc(cc(OC)c2Cl)CC(C)=CC=CC(OC)C2(O)CC(OC(O)=N2)C(C)C2OC12C| HBA: | 11 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.57 |
| AlogP: | 4.26 | Num_rotatable_bonds: | 4 |
| MolWt: | 607.1 | Num_heavy_atoms: | 42 |
| TPSA: | 148.44 | NumAromaticRings: | 1 |
