Glycoside
GD140679
Name:
2-hydroxy-3-methyl-21,23-dioxo-4-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-9-azapentacyclo[17.3.1.0âµ,²².0â·,¹¹.0¹âµ,²â°]tricosa-1,3,5(22),7,10,15(20),16,18-octaen-12-yn-16-yl acetateFormula:
C31H27O10NSmiles:
CC(=O)Oc1ccc2c3c1CC#Cc1c[nH]cc1Cc1c(OC4OC(C)C(O)C(O)C4O)c(C)c(O)c(c1C3=O)C2=OAglycone:
CC(=O)Oc1ccc2c3c1CC#Cc1c[nH]cc1Cc1c(O)c(C)c(O)c(c1C3=O)C2=OSugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 0.32 |
| AlogP: | 1.43 | Num_rotatable_bonds: | 3 |
| MolWt: | 573.55 | Num_heavy_atoms: | 42 |
| TPSA: | 175.61 | NumAromaticRings: | 3 |
Unique Aglycone
AD56717
Formula: C25H17O6N
Smiles:
CC(=O)Oc1ccc2c3c1CC#Cc1c[nH]cc1Cc1c(O)c(C)c(O)c(c1C3=O)C2=O| HBA: | 7 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.16 |
| AlogP: | 2.93 | Num_rotatable_bonds: | 1 |
| MolWt: | 427.41 | Num_heavy_atoms: | 32 |
| TPSA: | 116.69 | NumAromaticRings: | 3 |
