Glycoside
...
GD158374

Name:
2-[(6-{[6-({6-[8'-(1-{1,7-dihydroxy-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl}ethoxy)-4-methoxy-6,6'-dimethyl-hexahydrospiro[oxane-2,4'-pyrano[3,4-f][1,3,5]trioxepine]oxy]-4-methoxy-2-methyloxan-3-yl}oxy)-4-methoxy-2-methyloxan-3-yl]oxy}-4-methoxy-2-methyloxan-3-yl)oxy]-5-hydroxy-4-methoxy-6-methyloxan-3-yl acetate

Formula:
C65H106O24

Smiles:
COC1CC(OC2C(C)OC3(CC2OC)OCOC2CC(OC(C)C4(O)CCC5C6CC=C7CC(O)CCC7(C)C6CCC54C)OC(C)C2O3)OC(C)C1OC1CC(OC)C(OC2CC(OC)C(OC3OC(C)C(O)C(OC)C3OC(C)=O)C(C)O2)C(C)O1

Aglycone:
COC1CC2(OCOC3CC(OC(C)C4(O)CCC5C6CC=C7CC(O)CCC7(C)C6CCC54C)OC(C)C3O2)OC(C)C1O

Sugarmoiety:
COC1CC(O)OC(C)C1OC1CC(OC)C(OC2CC(OC)C(OC3OC(C)C(O)C(OC)C3OC(C)=O)C(C)O2)C(C)O1

Other Identifiers

Properties
HBA: 24 RingCount: 11
HBD: 3 FractionCSP3: 0.95
AlogP: 5.86 Num_rotatable_bonds: 17
MolWt: 1271.54 Num_heavy_atoms: 89
TPSA: 262.36 NumAromaticRings: 0

Unique Aglycone
AD04218
Formula: C35H56O10

Smiles:
COC1CC2(OCOC3CC(OC(C)C4(O)CCC5C6CC=C7CC(O)CCC7(C)C6CCC54C)OC(C)C3O2)OC(C)C1O
HBA: 10 RingCount: 7
HBD: 3 FractionCSP3: 0.94
AlogP: 4.18 Num_rotatable_bonds: 4
MolWt: 636.82 Num_heavy_atoms: 45
TPSA: 125.3 NumAromaticRings: 0

Sugarmoiety
SD02889

COC1CC(O)OC(C)C1OC1CC(OC)C(OC2CC(OC)C(OC3OC(C)C(O)C(OC)C3OC(C)=O)C(C)O2)C(C)O1