Glycoside
...
GD123729

Name:
2-{[6-({4-[3-({3,5-dihydroxy-6-methyl-4-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl}oxy)-3-methylpent-4-en-1-yl]-3,4,8,8a-tetramethyl-1,2,3,4,4a,5,6,8a-octahydronaphthalen-1-yl}oxy)-4,5-dihydroxy-2-methyloxan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol

Formula:
C44H74O19

Smiles:
C=CC(C)(CCC1(C)C(C)CC(OC2OC(C)C(OC3OC(CO)C(O)C(O)C3O)C(O)C2O)C2(C)C(C)=CCCC12)OC1OC(C)C(O)C(OC2OC(C)C(O)C(O)C2O)C1O

Aglycone:
C=CC(C)(O)CCC1(C)C(C)CC(O)C2(C)C(C)=CCCC12

Sugarmoiety:
CC1OC(O)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1O.CC1OC(OC2C(O)C(C)OC(O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 19 RingCount: 6
HBD: 11 FractionCSP3: 0.91
AlogP: -1.15 Num_rotatable_bonds: 13
MolWt: 907.06 Num_heavy_atoms: 63
TPSA: 296.37 NumAromaticRings: 0

Unique Aglycone
AD12492
Formula: C20H34O2

Smiles:
C=CC(C)(O)CCC1(C)C(C)CC(O)C2(C)C(C)=CCCC12
HBA: 2 RingCount: 2
HBD: 2 FractionCSP3: 0.8
AlogP: 4.47 Num_rotatable_bonds: 4
MolWt: 306.49 Num_heavy_atoms: 22
TPSA: 40.46 NumAromaticRings: 0

Sugarmoiety
SD06190

CC1OC(O)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1O.CC1OC(OC2C(O)C(C)OC(O)C2O)C(O)C(O)C1O