Glycoside
...
GD135321

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

Formula:
C62H104O24

Smiles:
COC1CC(OC2C(C)OC(OC3CCC4(C)C(C=CC5C4CCC4(C)C5CCC4(O)C(C)OC4CC(OC)C(OC5CC(OC)C(OC6CC(OC)C(OC7OC(CO)C(O)C(O)C7O)C(C)O6)C(C)O5)C(C)O4)C3)C(O)C2OC)OC(C)C1O

Aglycone:
CC(O)C1(O)CCC2C3C=CC4CC(O)CCC4(C)C3CCC21C

Sugarmoiety:
COC1CC(O)OC(C)C1OC1CC(OC)C(OC2CC(OC)C(OC3OC(CO)C(O)C(O)C3O)C(C)O2)C(C)O1.COC1CC(OC2C(C)OC(O)C(O)C2OC)OC(C)C1O

Other Identifiers

Properties
HBA: 24 RingCount: 10
HBD: 7 FractionCSP3: 0.97
AlogP: 2.75 Num_rotatable_bonds: 19
MolWt: 1233.49 Num_heavy_atoms: 86
TPSA: 298.52 NumAromaticRings: 0

Unique Aglycone
AD46010
Formula: C21H34O3

Smiles:
CC(O)C1(O)CCC2C3C=CC4CC(O)CCC4(C)C3CCC21C
HBA: 3 RingCount: 4
HBD: 3 FractionCSP3: 0.9
AlogP: 3.28 Num_rotatable_bonds: 1
MolWt: 334.5 Num_heavy_atoms: 24
TPSA: 60.69 NumAromaticRings: 0

Sugarmoiety
SD07921

COC1CC(O)OC(C)C1OC1CC(OC)C(OC2CC(OC)C(OC3OC(CO)C(O)C(O)C3O)C(C)O2)C(C)O1.COC1CC(OC2C(C)OC(O)C(O)C2OC)OC(C)C1O