Glycoside
GD146973
Name:
2-{[4-hydroxy-5-(hydroxymethyl)-2-(1,2,11-trihydroxyundec-4-en-1-yl)pyrrolidin-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C22H41O11NSmiles:
OCCCCCCC=CCC(O)C(O)C1NC(CO)C(O)C1OC1OC(CO)C(O)C(O)C1OAglycone:
OCCCCCCC=CCC(O)C(O)C1NC(CO)C(O)C1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 2 |
| HBD: | 10 | FractionCSP3: | 0.91 |
| AlogP: | -3.52 | Num_rotatable_bonds: | 14 |
| MolWt: | 495.57 | Num_heavy_atoms: | 34 |
| TPSA: | 212.56 | NumAromaticRings: | 0 |
Unique Aglycone
AD58883
Formula: C16H31O6N
Smiles:
OCCCCCCC=CCC(O)C(O)C1NC(CO)C(O)C1O| HBA: | 7 | RingCount: | 1 |
| HBD: | 7 | FractionCSP3: | 0.88 |
| AlogP: | -1.35 | Num_rotatable_bonds: | 11 |
| MolWt: | 333.43 | Num_heavy_atoms: | 23 |
| TPSA: | 133.41 | NumAromaticRings: | 0 |
