Glycoside
GD123548
Name:
N-[6-(7-{[3,4-dihydroxy-6-(hydroxymethyl)-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}-2-hydroxy-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl)-2-methyl-5-oxoheptyl]-3-methylbutanamideFormula:
C44H75O13NSmiles:
CC(C)CC(O)=NCC(C)CCC(=O)C(C)C1C(O)CC2C3CCC4CC(OC5OC(CO)C(OC6OC(C)C(O)C(O)C6O)C(O)C5O)CCC4(C)C3CCC21CAglycone:
CC(C)CC(O)=NCC(C)CCC(=O)C(C)C1C(O)CC2C3CCC4CC(O)CCC4(C)C3CCC21CSugarmoiety:
CC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 6 |
| HBD: | 8 | FractionCSP3: | 0.95 |
| AlogP: | 3.28 | Num_rotatable_bonds: | 14 |
| MolWt: | 826.08 | Num_heavy_atoms: | 58 |
| TPSA: | 228.19 | NumAromaticRings: | 0 |
Unique Aglycone
AD45718
Formula: C32H55O4N
Smiles:
CC(C)CC(O)=NCC(C)CCC(=O)C(C)C1C(O)CC2C3CCC4CC(O)CCC4(C)C3CCC21C| HBA: | 5 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.94 |
| AlogP: | 6.6 | Num_rotatable_bonds: | 9 |
| MolWt: | 517.8 | Num_heavy_atoms: | 37 |
| TPSA: | 90.12 | NumAromaticRings: | 0 |
