Glycoside
GD116925
Name:
19-amino-23-chloro-4-{[5-(dimethylamino)-3,4-dihydroxy-6,6-dimethyloxan-2-yl]oxy}-17-oxo-2,16-dioxapentacyclo[18.2.2.1â¹,¹³.0³,¹â°.0â´,â¸]pentacosa-1(22),5,7,9(25),10,12,20,23-octaen-14-yl 7-methoxy-2-methylidene-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-5-carboxylateFormula:
C44H44O12N3ClSmiles:
C=C1Oc2cc(OC)cc(C(=O)OC3COC(=O)CC(N)c4ccc(c(Cl)c4)OC4c5ccc3cc5C3=CC=CC34OC3OC(C)(C)C(N(C)C)C(O)C3O)c2N=C1OAglycone:
C=C1Oc2cc(OC)cc(C(=O)OC3COC(=O)CC(N)c4ccc(c(Cl)c4)OC4c5ccc3cc5C3=CC=CC34O)c2N=C1OSugarmoiety:
CN(C)C1C(O)C(O)C(O)OC1(C)COther Identifiers
Properties
| HBA: | 15 | RingCount: | 11 |
| HBD: | 5 | FractionCSP3: | 0.37 |
| AlogP: | 5.32 | Num_rotatable_bonds: | 6 |
| MolWt: | 830.29 | Num_heavy_atoms: | 59 |
| TPSA: | 201.06 | NumAromaticRings: | 3 |
Unique Aglycone
AD46531
Formula: C35H27O9N2Cl
Smiles:
C=C1Oc2cc(OC)cc(C(=O)OC3COC(=O)CC(N)c4ccc(c(Cl)c4)OC4c5ccc3cc5C3=CC=CC34O)c2N=C1O| HBA: | 11 | RingCount: | 10 |
| HBD: | 4 | FractionCSP3: | 0.21 |
| AlogP: | 5.51 | Num_rotatable_bonds: | 3 |
| MolWt: | 643.05 | Num_heavy_atoms: | 46 |
| TPSA: | 159.13 | NumAromaticRings: | 3 |
