Glycoside
GD149513
Name:
2,3-dihydroxy-3-[({4-methoxy-16,18-dioxa-10-azapentacyclo[11.7.0.0²,â¶.0â¶,¹â°.0¹âµ,¹â¹]icosa-1(13),4,14,19-tetraen-3-yl}oxy)carbonyl]-6-methylheptanoic acidFormula:
C27H35O9NSmiles:
COC1=CC23CCCN2CCc2cc4c(cc2C3C1OC(=O)C(O)(CCC(C)C)C(O)C(=O)O)OCO4Aglycone:
CCC(C)C.COC1=CC23CCCN2CCc2cc4c(cc2C3C1)OCO4Sugarmoiety:
O=C(O)C(O)C(O)(O)C(=O)OOOther Identifiers
Properties
| HBA: | 10 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.63 |
| AlogP: | 1.96 | Num_rotatable_bonds: | 8 |
| MolWt: | 517.58 | Num_heavy_atoms: | 37 |
| TPSA: | 134.99 | NumAromaticRings: | 1 |
Unique Aglycone
AD00195
Formula: C5H12
Smiles:
CCC(C)C| HBA: | 0 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 1.0 |
| AlogP: | 2.05 | Num_rotatable_bonds: | 1 |
| MolWt: | 72.15 | Num_heavy_atoms: | 5 |
| TPSA: | 0.0 | NumAromaticRings: | 0 |
AD00196
Formula: C18H21O3N
Smiles:
COC1=CC23CCCN2CCc2cc4c(cc2C3C1)OCO4| HBA: | 4 | RingCount: | 5 |
| HBD: | 0 | FractionCSP3: | 0.56 |
| AlogP: | 2.82 | Num_rotatable_bonds: | 1 |
| MolWt: | 299.37 | Num_heavy_atoms: | 22 |
| TPSA: | 30.93 | NumAromaticRings: | 1 |
