Glycoside
...
GD114620

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

Formula:
C56H90O27

Smiles:
CC(=O)C1C(OC(=O)CCC(C)COC2OC(CO)C(O)C(O)C2O)CC2C1CCC1C2CC=C2CC(OC3OC(CO)C(OC4OC(C)C(OC5OC(C)C(O)C(O)C5O)C(O)C4O)C(O)C3OC3OC(O)C(O)C(O)C3C)CCC21C

Aglycone:
CC(=O)C1C(OC(=O)CCC(C)CO)CC2C1CCC1C2CC=C2CC(O)CCC21C

Sugarmoiety:
CC1OC(OC2C(C)OC(OC3C(CO)OC(O)C(OC4OC(O)C(O)C(O)C4C)C3O)C(O)C2O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 27 RingCount: 9
HBD: 14 FractionCSP3: 0.93
AlogP: -3.54 Num_rotatable_bonds: 18
MolWt: 1195.31 Num_heavy_atoms: 83
TPSA: 418.89 NumAromaticRings: 0

Unique Aglycone
AD45172
Formula: C26H40O5

Smiles:
CC(=O)C1C(OC(=O)CCC(C)CO)CC2C1CCC1C2CC=C2CC(O)CCC21C
HBA: 5 RingCount: 4
HBD: 2 FractionCSP3: 0.85
AlogP: 4.06 Num_rotatable_bonds: 6
MolWt: 432.6 Num_heavy_atoms: 31
TPSA: 83.83 NumAromaticRings: 0

Sugarmoiety
SD04419

CC1OC(OC2C(C)OC(OC3C(CO)OC(O)C(OC4OC(O)C(O)C(O)C4C)C3O)C(O)C2O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O