Glycoside
GD131165
Name:
ethyl 12-methoxy-4-oxo-13-{[3,4,5-trihydroxy-6-(hydroxymethyl)-3-(3-hydroxypropyl)oxan-2-yl]oxy}-10-oxa-5-azapentacyclo[9.6.2.0³,â·.0â¸,¹â¹.0¹â´,¹â¸]nonadeca-8,11,13,18-tetraene-16-carboxylateFormula:
C30H39O12NSmiles:
CCOC(=O)C1Cc2c(OC3OC(CO)C(O)C(O)C3(O)CCCO)c(OC)c3occ4c3c2C(C1)CC1C(O)=NCC41Aglycone:
CCOC(=O)C1Cc2c(O)c(OC)c3occ4c3c2C(C1)CC1C(O)=NCC41Sugarmoiety:
OCCCC1(O)C(O)OC(CO)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.67 |
| AlogP: | 1.05 | Num_rotatable_bonds: | 9 |
| MolWt: | 605.64 | Num_heavy_atoms: | 43 |
| TPSA: | 200.87 | NumAromaticRings: | 2 |
Unique Aglycone
AD44876
Formula: C21H23O6N
Smiles:
CCOC(=O)C1Cc2c(O)c(OC)c3occ4c3c2C(C1)CC1C(O)=NCC41| HBA: | 7 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.52 |
| AlogP: | 3.43 | Num_rotatable_bonds: | 3 |
| MolWt: | 385.42 | Num_heavy_atoms: | 28 |
| TPSA: | 101.49 | NumAromaticRings: | 2 |
