Glycoside
GD147396
Name:
4,11-dihydroxy-5-[(4-hydroxyphenyl)methyl]-10-methoxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5,6,7,8,12b,13-hexahydro-6-azatetraphen-6-ium-6-olateFormula:
C31H35O11NSmiles:
COc1cc2c(cc1O)C1Cc3ccc(OC4OC(CO)C(O)C(O)C4O)c(O)c3C(Cc3ccc(O)cc3)[N+]1([O-])CC2Aglycone:
COc1cc2c(cc1O)C1Cc3ccc(O)c(O)c3C(Cc3ccc(O)cc3)[N+]1([O-])CC2Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 6 |
| HBD: | 7 | FractionCSP3: | 0.42 |
| AlogP: | 1.44 | Num_rotatable_bonds: | 6 |
| MolWt: | 597.62 | Num_heavy_atoms: | 43 |
| TPSA: | 192.36 | NumAromaticRings: | 3 |
Unique Aglycone
AD59031
Formula: C25H25O6N
Smiles:
COc1cc2c(cc1O)C1Cc3ccc(O)c(O)c3C(Cc3ccc(O)cc3)[N+]1([O-])CC2| HBA: | 7 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.28 |
| AlogP: | 3.97 | Num_rotatable_bonds: | 3 |
| MolWt: | 435.48 | Num_heavy_atoms: | 32 |
| TPSA: | 113.21 | NumAromaticRings: | 3 |
