Glycoside
GD119034
Name:
6,10,19-trimethyl-22-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-24-oxa-4-azaheptacyclo[12.12.0.0²,¹¹.0â´,â¹.0¹âµ,²âµ.0¹â¸,²³.0¹â¹,²âµ]hexacosane-10,12,13,14,23-pentolFormula:
C33H53O12NSmiles:
CC1CCC2N(C1)CC1C(C(O)C(O)C3(O)C1CC14OC5(O)C(OC6OC(CO)C(O)C(O)C6O)CCC1(C)C5CCC34)C2(C)OAglycone:
CC1CCC2N(C1)CC1C(C(O)C(O)C3(O)C1CC14OC5(O)C(O)CCC1(C)C5CCC34)C2(C)OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 8 |
| HBD: | 9 | FractionCSP3: | 1.0 |
| AlogP: | -1.96 | Num_rotatable_bonds: | 3 |
| MolWt: | 655.78 | Num_heavy_atoms: | 46 |
| TPSA: | 213.0 | NumAromaticRings: | 0 |
Unique Aglycone
AD47647
Formula: C27H43O7N
Smiles:
CC1CCC2N(C1)CC1C(C(O)C(O)C3(O)C1CC14OC5(O)C(O)CCC1(C)C5CCC34)C2(C)O| HBA: | 8 | RingCount: | 7 |
| HBD: | 6 | FractionCSP3: | 1.0 |
| AlogP: | 0.22 | Num_rotatable_bonds: | 0 |
| MolWt: | 493.64 | Num_heavy_atoms: | 35 |
| TPSA: | 133.85 | NumAromaticRings: | 0 |
