Glycoside
...
GD124089

Name:
2-[(4,7,12,15-tetramethyl-17-{[3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-1,18-bis(2,6,6-trimethyl-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}cyclohex-1-en-1-yl)octadeca-1,3,5,7,9,11,13,15,17-nonaen-2-yl)oxy]-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxane-3,4,5-triol

Formula:
C76H116O34

Smiles:
CC(C=CC(C)=CC(=CC1=C(C)CC(OC2OC(CO)C(O)C(O)C2O)CC1(C)C)OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O)=CC=CC=C(C)C=CC(C)=CC(=CC1=C(C)CC(OC2OC(CO)C(O)C(O)C2O)CC1(C)C)OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O

Aglycone:
CC(C=CC(C)=CC(O)=CC1=C(C)CC(O)CC1(C)C)=CC=CC=C(C)C=CC(C)=CC(O)=CC1=C(C)CC(O)CC1(C)C

Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O.OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1O.OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 34 RingCount: 8
HBD: 22 FractionCSP3: 0.71
AlogP: -3.87 Num_rotatable_bonds: 28
MolWt: 1573.73 Num_heavy_atoms: 110
TPSA: 555.82 NumAromaticRings: 0

Unique Aglycone
AD50103
Formula: C40H56O4

Smiles:
CC(C=CC(C)=CC(O)=CC1=C(C)CC(O)CC1(C)C)=CC=CC=C(C)C=CC(C)=CC(O)=CC1=C(C)CC(O)CC1(C)C
HBA: 4 RingCount: 2
HBD: 4 FractionCSP3: 0.45
AlogP: 10.32 Num_rotatable_bonds: 10
MolWt: 600.88 Num_heavy_atoms: 44
TPSA: 80.92 NumAromaticRings: 0

Sugarmoiety
SD06265

OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O.OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1O.OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1O