Glycoside
...
GD153335

Name:
1-{7-[(5-{[5-({5-[(3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl)oxy]-4-methoxy-6-methyloxan-2-yl}oxy)-4-methoxy-6-methyloxan-2-yl]oxy}-4-hydroxy-6-methyloxan-2-yl)oxy]-1,3a,3b,11-tetrahydroxy-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl}ethan-1-one

Formula:
C48H80O19

Smiles:
COC1CC(OC2C(O)CC(OC3CCC4(C)C(CCC5(O)C4CC(O)C4(C)C(O)(C(C)=O)CCC54O)C3)OC2C)OC(C)C1OC1CC(OC)C(OC2OC(C)C(O)C(OC)C2O)C(C)O1

Aglycone:
CC(=O)C1(O)CCC2(O)C3(O)CCC4CC(O)CCC4(C)C3CC(O)C12C

Sugarmoiety:
COC1CC(OC2C(O)CC(O)OC2C)OC(C)C1OC1CC(OC)C(OC2OC(C)C(O)C(OC)C2O)C(C)O1

Other Identifiers

Properties
HBA: 19 RingCount: 8
HBD: 7 FractionCSP3: 0.98
AlogP: 1.37 Num_rotatable_bonds: 12
MolWt: 961.15 Num_heavy_atoms: 67
TPSA: 260.21 NumAromaticRings: 0

Unique Aglycone
AD60988
Formula: C21H34O6

Smiles:
CC(=O)C1(O)CCC2(O)C3(O)CCC4CC(O)CCC4(C)C3CC(O)C12C
HBA: 6 RingCount: 4
HBD: 5 FractionCSP3: 0.95
AlogP: 0.91 Num_rotatable_bonds: 1
MolWt: 382.5 Num_heavy_atoms: 27
TPSA: 118.22 NumAromaticRings: 0

Sugarmoiety
SD00924

COC1CC(OC2C(O)CC(O)OC2C)OC(C)C1OC1CC(OC)C(OC2OC(C)C(O)C(OC)C2O)C(C)O1