Glycoside
GD145918
Name:
7-{[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1-(4-hydroxy-6-methylheptan-2-yl)-6-(hydroxymethyl)-9a,11a-dimethyl-1H,2H,3H,3aH,4H,5H,5aH,6H,7H,8H,9H,9aH,10H,11H,11aH-cyclopenta[a]phenanthrene-6-carboxylic acidFormula:
C37H61O10NSmiles:
CC(O)=NC1C(OC2CCC3(C)C4=C(CCC3C2(CO)C(=O)O)C2CCC(C(C)CC(O)CC(C)C)C2(C)CC4)OC(CO)C(O)C1OAglycone:
CC(C)CC(O)CC(C)C1CCC2C3=C(CCC21C)C1(C)CCC(O)C(CO)(C(=O)O)C1CC3Sugarmoiety:
CC(O)=NC1C(O)OC(CO)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.89 |
| AlogP: | 3.99 | Num_rotatable_bonds: | 11 |
| MolWt: | 679.89 | Num_heavy_atoms: | 48 |
| TPSA: | 189.5 | NumAromaticRings: | 0 |
Unique Aglycone
AD58543
Formula: C29H48O5
Smiles:
CC(C)CC(O)CC(C)C1CCC2C3=C(CCC21C)C1(C)CCC(O)C(CO)(C(=O)O)C1CC3| HBA: | 5 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.9 |
| AlogP: | 5.18 | Num_rotatable_bonds: | 7 |
| MolWt: | 476.7 | Num_heavy_atoms: | 34 |
| TPSA: | 97.99 | NumAromaticRings: | 0 |
