Glycoside
...
GD157131

Name:
7-({4,5-dihydroxy-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl}oxy)-11-hydroxy-1-(1-hydroxy-5-methyl-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]peroxy}hex-4-en-1-yl)-3a,3b,6,6-tetramethyl-hexadecahydro-1H-cyclopenta[a]phenanthrene-9a-carbaldehyde

Formula:
C46H76O19

Smiles:
CC(C)=CCCC(O)(OOC1OC(CO)C(O)C(O)C1O)C1CCC2(C)C1C(O)CC1C3(C=O)CCC(OC4OCC(O)C(O)C4OC4OC(C)C(O)C(O)C4O)C(C)(C)C3CCC12C

Aglycone:
CC(C)=CCCC(O)(OO)C1CCC2(C)C1C(O)CC1C3(C=O)CCC(O)C(C)(C)C3CCC12C

Sugarmoiety:
CC1OC(OC2C(O)OCC(O)C2O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 19 RingCount: 7
HBD: 11 FractionCSP3: 0.93
AlogP: -0.32 Num_rotatable_bonds: 13
MolWt: 933.1 Num_heavy_atoms: 65
TPSA: 304.21 NumAromaticRings: 0

Unique Aglycone
AD62152
Formula: C29H48O6

Smiles:
CC(C)=CCCC(O)(OO)C1CCC2(C)C1C(O)CC1C3(C=O)CCC(O)C(C)(C)C3CCC12C
HBA: 6 RingCount: 4
HBD: 4 FractionCSP3: 0.9
AlogP: 5.11 Num_rotatable_bonds: 6
MolWt: 492.7 Num_heavy_atoms: 35
TPSA: 107.22 NumAromaticRings: 0

Sugarmoiety
SD00213

CC1OC(OC2C(O)OCC(O)C2O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O