Glycoside
...
GD150608

Name:
N-(6-{7-[(4,5-dihydroxy-6-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}-3-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl)oxy]-2-hydroxy-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl}-2-methyl-5-oxoheptyl)acetamide

Formula:
C46H75O17N

Smiles:
CC(O)=NCC(C)CCC(=O)C(C)C1C(O)CC2C3CC=C4CC(OC5OC(COC6OC(C)C(O)C(O)C6O)C(O)C(O)C5OC5OCC(O)C(O)C5O)CCC4(C)C3CCC21C

Aglycone:
CC(O)=NCC(C)CCC(=O)C(C)C1C(O)CC2C3CC=C4CC(O)CCC4(C)C3CCC21C

Sugarmoiety:
CC1OC(OCC2OC(O)C(OC3OCC(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 18 RingCount: 7
HBD: 10 FractionCSP3: 0.91
AlogP: 0.63 Num_rotatable_bonds: 14
MolWt: 914.1 Num_heavy_atoms: 64
TPSA: 287.11 NumAromaticRings: 0

Unique Aglycone
AD47706
Formula: C29H47O4N

Smiles:
CC(O)=NCC(C)CCC(=O)C(C)C1C(O)CC2C3CC=C4CC(O)CCC4(C)C3CCC21C
HBA: 5 RingCount: 4
HBD: 3 FractionCSP3: 0.86
AlogP: 5.5 Num_rotatable_bonds: 7
MolWt: 473.7 Num_heavy_atoms: 34
TPSA: 90.12 NumAromaticRings: 0

Sugarmoiety
SD00455

CC1OC(OCC2OC(O)C(OC3OCC(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O