Glycoside
...
GD115217

Name:
7-({4,5-dihydroxy-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl}oxy)-1-(2,6-dihydroxy-6-methylhept-4-en-2-yl)-3b,6,6,9a-tetramethyl-3a-{[(3,4,5-trihydroxy-6-{[(3,4,5-trihydroxyoxan-2-yl)oxy]methyl}oxan-2-yl)oxy]methyl}-hexadecahydro-1H-cyclopenta[a]phenanthren-2-one

Formula:
C52H86O22

Smiles:
CC1OC(OC2C(OC3CCC4(C)C(CCC5(C)C4CCC4C(C(C)(O)CC=CC(C)(C)O)C(=O)CC45COC4OC(COC5OCC(O)C(O)C5O)C(O)C(O)C4O)C3(C)C)OCC(O)C2O)C(O)C(O)C1O

Aglycone:
CC(C)(O)C=CCC(C)(O)C1C(=O)CC2(CO)C1CCC1C3(C)CCC(O)C(C)(C)C3CCC12C

Sugarmoiety:
CC1OC(OC2C(O)OCC(O)C2O)C(O)C(O)C1O.OC1COC(OCC2OC(O)C(O)C(O)C2O)C(O)C1O

Other Identifiers

Properties
HBA: 22 RingCount: 8
HBD: 13 FractionCSP3: 0.94
AlogP: -1.75 Num_rotatable_bonds: 14
MolWt: 1063.24 Num_heavy_atoms: 74
TPSA: 353.9 NumAromaticRings: 0

Unique Aglycone
AD45535
Formula: C30H50O5

Smiles:
CC(C)(O)C=CCC(C)(O)C1C(=O)CC2(CO)C1CCC1C3(C)CCC(O)C(C)(C)C3CCC12C
HBA: 5 RingCount: 4
HBD: 4 FractionCSP3: 0.9
AlogP: 4.65 Num_rotatable_bonds: 5
MolWt: 490.73 Num_heavy_atoms: 35
TPSA: 97.99 NumAromaticRings: 0

Sugarmoiety
SD04570

CC1OC(OC2C(O)OCC(O)C2O)C(O)C(O)C1O.OC1COC(OCC2OC(O)C(O)C(O)C2O)C(O)C1O