Glycoside
...
GD146636

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

Formula:
C61H100O32

Smiles:
CC(CCC(=O)C(C)C1C(=O)CC2C3CCC4CC(OC5OC(CO)C(OC6OC(CO)C(O)C(OC7OCC(O)C(O)C7O)C6OC6OC(CO)C(O)C(O)C6O)C(O)C5O)CCC4(C)C3CCC21C)COC1OC(COC2OCC(O)C(O)C2O)C(O)C(O)C1O

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

Sugarmoiety:
OC1COC(OCC2OC(O)C(O)C(O)C2O)C(O)C1O.OCC1OC(OC2C(OC3C(CO)OC(O)C(O)C3O)OC(CO)C(O)C2OC2OCC(O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 32 RingCount: 10
HBD: 18 FractionCSP3: 0.97
AlogP: -6.98 Num_rotatable_bonds: 22
MolWt: 1345.44 Num_heavy_atoms: 93
TPSA: 509.04 NumAromaticRings: 0

Unique Aglycone
AD57506
Formula: C27H44O4

Smiles:
CC(CO)CCC(=O)C(C)C1C(=O)CC2C3CCC4CC(O)CCC4(C)C3CCC21C
HBA: 4 RingCount: 4
HBD: 2 FractionCSP3: 0.93
AlogP: 4.8 Num_rotatable_bonds: 6
MolWt: 432.65 Num_heavy_atoms: 31
TPSA: 74.6 NumAromaticRings: 0

Sugarmoiety
SD09355

OC1COC(OCC2OC(O)C(O)C(O)C2O)C(O)C1O.OCC1OC(OC2C(OC3C(CO)OC(O)C(O)C3O)OC(CO)C(O)C2OC2OCC(O)C(O)C2O)C(O)C(O)C1O