Glycoside
...
GD127943

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

Formula:
C46H76O17

Smiles:
CC(C)=CCCC(OC1OC(CO)C(O)C(O)C1O)C1CCC2(C)C1CCC1C3(C=O)CCC(OC4OCC(O)C(O)C4OC4OC(CO)C(O)C(O)C4O)C(C)(C)C3CCC12C

Aglycone:
CC(C)=CCCC(O)C1CCC2(C)C1CCC1C3(C=O)CCC(O)C(C)(C)C3CCC12C

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

Other Identifiers

Properties
HBA: 17 RingCount: 7
HBD: 10 FractionCSP3: 0.93
AlogP: 0.43 Num_rotatable_bonds: 13
MolWt: 901.1 Num_heavy_atoms: 63
TPSA: 274.75 NumAromaticRings: 0

Unique Aglycone
AD50573
Formula: C29H48O3

Smiles:
CC(C)=CCCC(O)C1CCC2(C)C1CCC1C3(C=O)CCC(O)C(C)(C)C3CCC12C
HBA: 3 RingCount: 4
HBD: 2 FractionCSP3: 0.9
AlogP: 6.32 Num_rotatable_bonds: 5
MolWt: 444.7 Num_heavy_atoms: 32
TPSA: 57.53 NumAromaticRings: 0

Sugarmoiety
SD02763

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