Glycoside
...
GD125072

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

Formula:
C53H88O22

Smiles:
CC(C)=CCCC(OC1OC(COC2OC(C)C(O)C(O)C2O)C(O)C(O)C1O)C1CCC2(C)C1CCC1C3(C=O)CCC(OC4OC(CO)C(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:
CC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1O.OCC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 22 RingCount: 8
HBD: 13 FractionCSP3: 0.94
AlogP: -1.36 Num_rotatable_bonds: 16
MolWt: 1077.27 Num_heavy_atoms: 75
TPSA: 353.9 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
SD01743

CC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1O.OCC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1O