Glycoside
...
GD145343

Name:
7-{[4-({4,5-dihydroxy-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl}oxy)-3,5-dihydroxyoxan-2-yl]oxy}-1-[2,3-dihydroxy-5-(2-methylprop-1-en-1-yl)oxolan-3-yl]-3a,3b,6,6-tetramethyl-hexadecahydro-1H-cyclopenta[a]phenanthrene-9a-carbaldehyde

Formula:
C46H74O17

Smiles:
CC(C)=CC1CC(O)(C2CCC3(C)C2CCC2C4(C=O)CCC(OC5OCC(O)C(OC6OCC(O)C(O)C6OC6OC(C)C(O)C(O)C6O)C5O)C(C)(C)C4CCC23C)C(O)O1

Aglycone:
CC1(C)C(O)CCC2(C=O)C1CCC1(C)C2CCC2CCCC21C

Sugarmoiety:
CC(C)=CC1CC(O)(O)C(O)O1.CC1OC(OC2C(OC3C(O)COC(O)C3O)OCC(O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 17 RingCount: 8
HBD: 9 FractionCSP3: 0.93
AlogP: 0.79 Num_rotatable_bonds: 9
MolWt: 899.08 Num_heavy_atoms: 63
TPSA: 263.75 NumAromaticRings: 0

Unique Aglycone
AD50832
Formula: C22H36O2

Smiles:
CC1(C)C(O)CCC2(C=O)C1CCC1(C)C2CCC2CCCC21C
HBA: 2 RingCount: 4
HBD: 1 FractionCSP3: 0.95
AlogP: 4.99 Num_rotatable_bonds: 1
MolWt: 332.53 Num_heavy_atoms: 24
TPSA: 37.3 NumAromaticRings: 0

Sugarmoiety
SD09206

CC(C)=CC1CC(O)(O)C(O)O1.CC1OC(OC2C(OC3C(O)COC(O)C3O)OCC(O)C2O)C(O)C(O)C1O