Glycoside
GD136847
Name:
7-[5-(8-{3-[(4,5-dihydroxy-6-methyloxan-2-yl)oxy]-2-[2,3,4-trihydroxy-5,5-dimethyl-6-(penta-1,3-dien-1-yl)oxan-2-yl]propanamido}-3-methoxy-4-methylocta-4,6-dien-2-yl)-3-hydroxyoxolan-2-yl]hepta-2,4,6-trienoic acidFormula:
C42H63O14NSmiles:
CC=CC=CC1OC(O)(C(COC2CC(O)C(O)C(C)O2)C(O)=NCC=CC=C(C)C(OC)C(C)C2CC(O)C(C=CC=CC=CC(=O)O)O2)C(O)C(O)C1(C)CAglycone:
C=CC=CC.COC(C(C)=CC=CCN=C(O)CCO)C(C)C1CC(O)C(C=CC=CC=CC(=O)O)O1Sugarmoiety:
CC1(C)C(O)OC(O)(O)C(O)C1O.CC1OC(O)CC(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 3 |
| HBD: | 8 | FractionCSP3: | 0.62 |
| AlogP: | 2.83 | Num_rotatable_bonds: | 18 |
| MolWt: | 805.96 | Num_heavy_atoms: | 57 |
| TPSA: | 237.42 | NumAromaticRings: | 0 |
Unique Aglycone
AD00163
Formula: C5H8
Smiles:
C=CC=CC| HBA: | 0 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.2 |
| AlogP: | 1.75 | Num_rotatable_bonds: | 1 |
| MolWt: | 68.12 | Num_heavy_atoms: | 5 |
| TPSA: | 0.0 | NumAromaticRings: | 0 |
AD46606
Formula: C24H35O7N
Smiles:
COC(C(C)=CC=CCN=C(O)CCO)C(C)C1CC(O)C(C=CC=CC=CC(=O)O)O1| HBA: | 8 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.5 |
| AlogP: | 2.75 | Num_rotatable_bonds: | 13 |
| MolWt: | 449.54 | Num_heavy_atoms: | 32 |
| TPSA: | 128.81 | NumAromaticRings: | 0 |
