Glycoside
GD116048
Name:
3-[({6-[(7-acetyl-8-hydroxy-3-methoxy-6-methylnaphthalen-1-yl)oxy]-3,4,5-trihydroxyoxan-2-yl}methoxy)methyl]-7aH-indol-7a-yliumFormula:
C29H30O9NSmiles:
COc1cc2c(c(OC3OC(COCC4=c5ccccc5=[N+]=C4)C(O)C(O)C3O)c1)C(=O)C(=C(C)O)C(C)=C2Aglycone:
COCC1=c2ccccc2=[N+]=C1.COc1cc(O)c2c(c1)C=C(C)C(=C(C)O)C2=OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.34 |
| AlogP: | -0.05 | Num_rotatable_bonds: | 7 |
| MolWt: | 536.56 | Num_heavy_atoms: | 39 |
| TPSA: | 149.01 | NumAromaticRings: | 2 |
Unique Aglycone
AD46020
Formula: C10H10ON
Smiles:
COCC1=c2ccccc2=[N+]=C1| HBA: | 2 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.2 |
| AlogP: | -0.75 | Num_rotatable_bonds: | 2 |
| MolWt: | 160.2 | Num_heavy_atoms: | 12 |
| TPSA: | 23.33 | NumAromaticRings: | 1 |
AD46021
Formula: C14H14O4
Smiles:
COc1cc(O)c2c(c1)C=C(C)C(=C(C)O)C2=O| HBA: | 4 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.21 |
| AlogP: | 2.83 | Num_rotatable_bonds: | 1 |
| MolWt: | 246.26 | Num_heavy_atoms: | 18 |
| TPSA: | 66.76 | NumAromaticRings: | 1 |
