Glycoside
GD146007
Name:
Linearolide BFormula:
C42H71O12NSmiles:
CCC1(O)OC(C(=CC(C)C(C=CC(C)(O)C2CCC(OC)C2C=CC(C)=CC(C)C(C)O)OC2CC(N=C(C)O)C(O)C(C)O2)OC)C(C)C(O)C1OCAglycone:
COC=CC(C)C(C=CC(C)(O)C1CCC(OC)C1C=CC(C)=CC(C)C(C)O)OC1CC(N=C(C)O)C(O)C(C)O1Sugarmoiety:
CCC1(O)OC(O)C(C)C(O)C1OCOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.79 |
| AlogP: | 4.76 | Num_rotatable_bonds: | 17 |
| MolWt: | 782.03 | Num_heavy_atoms: | 55 |
| TPSA: | 189.12 | NumAromaticRings: | 0 |
Unique Aglycone
AD58575
Formula: C33H55O8N
Smiles:
COC=CC(C)C(C=CC(C)(O)C1CCC(OC)C1C=CC(C)=CC(C)C(C)O)OC1CC(N=C(C)O)C(O)C(C)O1| HBA: | 9 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.73 |
| AlogP: | 4.88 | Num_rotatable_bonds: | 14 |
| MolWt: | 593.8 | Num_heavy_atoms: | 42 |
| TPSA: | 130.2 | NumAromaticRings: | 0 |
