Glycoside
...
GD135862

Name:
5-hydroxy-2-({6-[(1-hydroxy-1-{1-[(5-hydroxy-4-methoxy-6-methyl-3-{[3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}oxan-2-yl)oxy]ethyl}-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-yl)oxy]-4-methoxy-2-methyloxan-3-yl}oxy)-4-methoxy-6-methyloxan-3-yl acetate

Formula:
C56H92O25

Smiles:
COC1CC(OC2CCC3(C)C(=CCC4C3CCC3(C)C4CCC3(O)C(C)OC3OC(C)C(O)C(OC)C3OC3OC(COC4OC(CO)C(O)C(O)C4O)C(O)C(O)C3O)C2)OC(C)C1OC1OC(C)C(O)C(OC)C1OC(C)=O

Aglycone:
CC(O)C1(O)CCC2C3CC=C4CC(O)CCC4(C)C3CCC21C

Sugarmoiety:
COC1C(O)C(C)OC(O)C1OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O.COC1CC(O)OC(C)C1OC1OC(C)C(O)C(OC)C1OC(C)=O

Other Identifiers

Properties
HBA: 25 RingCount: 9
HBD: 10 FractionCSP3: 0.95
AlogP: -0.81 Num_rotatable_bonds: 17
MolWt: 1165.33 Num_heavy_atoms: 81
TPSA: 348.59 NumAromaticRings: 0

Unique Aglycone
AD44042
Formula: C21H34O3

Smiles:
CC(O)C1(O)CCC2C3CC=C4CC(O)CCC4(C)C3CCC21C
HBA: 3 RingCount: 4
HBD: 3 FractionCSP3: 0.9
AlogP: 3.42 Num_rotatable_bonds: 1
MolWt: 334.5 Num_heavy_atoms: 24
TPSA: 60.69 NumAromaticRings: 0

Sugarmoiety
SD07080

COC1C(O)C(C)OC(O)C1OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O.COC1CC(O)OC(C)C1OC1OC(C)C(O)C(OC)C1OC(C)=O