Glycoside
GD149953
Name:
3,4,5-trihydroxy-6-{[12-(2-hydroxyethyl)-15-methoxy-14-{[(3-methylbutyl)amino]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:
C36H43O12NSmiles:
COc1c(OCNCCC(C)C)cc(CCO)c2c1OC1c3c(cc(OC4OC(C(=O)O)C(O)C(O)C4O)cc3-c3ccccc3)OCC21Aglycone:
COc1c(OCNCCC(C)C)cc(CCO)c2c1OC1c3c(cc(O)cc3-c3ccccc3)OCC21Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.47 |
| AlogP: | 2.75 | Num_rotatable_bonds: | 13 |
| MolWt: | 681.74 | Num_heavy_atoms: | 49 |
| TPSA: | 185.63 | NumAromaticRings: | 3 |
Unique Aglycone
AD59933
Formula: C30H35O6N
Smiles:
COc1c(OCNCCC(C)C)cc(CCO)c2c1OC1c3c(cc(O)cc3-c3ccccc3)OCC21| HBA: | 7 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.4 |
| AlogP: | 5.18 | Num_rotatable_bonds: | 10 |
| MolWt: | 505.61 | Num_heavy_atoms: | 37 |
| TPSA: | 89.41 | NumAromaticRings: | 3 |
