Glycoside
GD127126
Name:
6'-methoxy-2'-methyl-7'-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3',4',6,8-tetrahydro-2H,2'H-spiro[indeno[4,5-d][1,3]dioxole-7,1'-isoquinolin]-8-oneFormula:
C26H29O10NSmiles:
COc1cc2c(cc1OC1OC(CO)C(O)C(O)C1O)C1(Cc3ccc4c(c3C1=O)OCO4)N(C)CC2Aglycone:
COc1cc2c(cc1O)C1(Cc3ccc4c(c3C1=O)OCO4)N(C)CC2Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.5 |
| AlogP: | -0.28 | Num_rotatable_bonds: | 4 |
| MolWt: | 515.52 | Num_heavy_atoms: | 37 |
| TPSA: | 147.38 | NumAromaticRings: | 2 |
Unique Aglycone
AD51465
Formula: C20H19O5N
Smiles:
COc1cc2c(cc1O)C1(Cc3ccc4c(c3C1=O)OCO4)N(C)CC2| HBA: | 6 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 0.35 |
| AlogP: | 2.25 | Num_rotatable_bonds: | 1 |
| MolWt: | 353.37 | Num_heavy_atoms: | 26 |
| TPSA: | 68.23 | NumAromaticRings: | 2 |
