Glycoside
GD143020
Name:
3,4,5-trihydroxy-6-{[12-(2-hydroxyethyl)-14-{[(2-hydroxypropyl)amino]methoxy}-15-methoxy-3-phenyl-8,17-dioxatetracyclo[8.7.0.0²,â·.0¹¹,¹â¶]heptadeca-2(7),3,5,11(16),12,14-hexaen-5-yl]oxy}oxane-2-carboxylic acidFormula:
C34H39O13NSmiles:
COc1c(OCNCC(C)O)cc(CCO)c2c1OC1c3c(cc(OC4OC(C(=O)O)C(O)C(O)C4O)cc3-c3ccccc3)OCC21Aglycone:
COc1c(OCNCC(C)O)cc(CCO)c2c1OC1c3c(cc(O)cc3-c3ccccc3)OCC21Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 6 |
| HBD: | 7 | FractionCSP3: | 0.44 |
| AlogP: | 1.08 | Num_rotatable_bonds: | 12 |
| MolWt: | 669.68 | Num_heavy_atoms: | 48 |
| TPSA: | 205.86 | NumAromaticRings: | 3 |
Unique Aglycone
AD57537
Formula: C28H31O7N
Smiles:
COc1c(OCNCC(C)O)cc(CCO)c2c1OC1c3c(cc(O)cc3-c3ccccc3)OCC21| HBA: | 8 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.36 |
| AlogP: | 3.52 | Num_rotatable_bonds: | 9 |
| MolWt: | 493.56 | Num_heavy_atoms: | 36 |
| TPSA: | 109.64 | NumAromaticRings: | 3 |
