Glycoside
GD124327
Name:
2-[5-(6-{[7-acetyl-8-hydroxy-4-(hydroxymethyl)-3-methoxy-6-methylnaphthalen-1-yl]oxy}-3,4,5-trihydroxyoxan-2-yl)-2-amino-5-hydroxycyclohex-3-en-1-yl]acetaldehydeFormula:
C28H35O11NSmiles:
COc1cc(OC2OC(C3(O)C=CC(N)C(CC=O)C3)C(O)C(O)C2O)c2c(O)c(C(C)=O)c(C)cc2c1COAglycone:
COc1cc(O)c2c(O)c(C(C)=O)c(C)cc2c1CO.NC1C=CC(O)CC1CC=OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.5 |
| AlogP: | -0.03 | Num_rotatable_bonds: | 8 |
| MolWt: | 561.58 | Num_heavy_atoms: | 40 |
| TPSA: | 209.23 | NumAromaticRings: | 2 |
Unique Aglycone
AD47988
Formula: C15H16O5
Smiles:
COc1cc(O)c2c(O)c(C(C)=O)c(C)cc2c1CO| HBA: | 5 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.27 |
| AlogP: | 2.26 | Num_rotatable_bonds: | 3 |
| MolWt: | 276.29 | Num_heavy_atoms: | 20 |
| TPSA: | 86.99 | NumAromaticRings: | 2 |
AD50217
Formula: C8H13O2N
Smiles:
NC1C=CC(O)CC1CC=O| HBA: | 3 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.62 |
| AlogP: | -0.16 | Num_rotatable_bonds: | 2 |
| MolWt: | 155.2 | Num_heavy_atoms: | 11 |
| TPSA: | 63.32 | NumAromaticRings: | 0 |
