Glycoside
...
GD115525

Name:
N-[6-(7-{[5-({4,5-dihydroxy-6-methyl-3-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl}oxy)-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-hydroxy-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl)-2-methyl-5-oxoheptyl]-3-methylbutanamide

Formula:
C49H83O17N

Smiles:
CC(C)CC(O)=NCC(C)CCC(=O)C(C)C1C(O)CC2C3CCC4CC(OC5OC(CO)C(OC6OC(C)C(O)C(O)C6OC6OCC(O)C(O)C6O)C(O)C5O)CCC4(C)C3CCC21C

Aglycone:
CC(C)CC(O)=NCC(C)CCC(=O)C(C)C1C(O)CC2C3CCC4CC(O)CCC4(C)C3CCC21C

Sugarmoiety:
CC1OC(OC2C(CO)OC(O)C(O)C2O)C(OC2OCC(O)C(O)C2O)C(O)C1O

Other Identifiers

Properties
HBA: 18 RingCount: 7
HBD: 10 FractionCSP3: 0.96
AlogP: 1.74 Num_rotatable_bonds: 16
MolWt: 958.19 Num_heavy_atoms: 67
TPSA: 287.11 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

Sugarmoiety
SD04639

CC1OC(OC2C(CO)OC(O)C(O)C2O)C(OC2OCC(O)C(O)C2O)C(O)C1O