Glycoside
GD154862
Name:
(2-{[5-(carboxyamino)-4-hydroxy-6-{[hydroxy({hydroxy[(3,7,10-trimethylundeca-6,9-dien-1-yl)oxy]phosphoryl}oxy)phosphoryl]oxy}-2-(hydroxymethyl)oxan-3-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl)carbamic acidFormula:
C28H50O19N2P2Smiles:
CC(C)=CCC(C)=CCCC(C)CCOP(=O)(O)OP(=O)(O)OC1OC(CO)C(OC2OC(CO)C(O)C(O)C2NC(=O)O)C(O)C1NC(=O)OAglycone:
CC(C)=CCC(C)=CCCC(C)CCOP(=O)(O)OP(=O)(O)OSugarmoiety:
O=C(O)NC1C(O)OC(CO)C(OC2OC(CO)C(O)C(O)C2NC(=O)O)C1OOther Identifiers
Properties
| HBA: | 21 | RingCount: | 2 |
| HBD: | 11 | FractionCSP3: | 0.79 |
| AlogP: | 0.52 | Num_rotatable_bonds: | 19 |
| MolWt: | 780.65 | Num_heavy_atoms: | 51 |
| TPSA: | 329.79 | NumAromaticRings: | 0 |
Unique Aglycone
AD61471
Formula: C14H28O7P2
Smiles:
CC(C)=CCC(C)=CCCC(C)CCOP(=O)(O)OP(=O)(O)O| HBA: | 7 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 0.71 |
| AlogP: | 4.32 | Num_rotatable_bonds: | 11 |
| MolWt: | 370.32 | Num_heavy_atoms: | 23 |
| TPSA: | 113.29 | NumAromaticRings: | 0 |
