Glycoside
...
GD129653

Name:
2-[(6-{[6-({6-[7-(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',9-dimethyl-tetrahydro-4H-spiro[[1,3]dioxino[5,4-c][1,2,5]trioxepine-3,2'-oxane]oxy]-4-methoxy-2-methyloxan-3-yl}oxy)-4-methoxy-2-methyloxan-3-yl]oxy}-4-methoxy-2-methyloxan-3-yl)oxy]-4-methoxy-6-methyloxane-3,5-diol

Formula:
C62H102O24

Smiles:
COC1CC(OC2C(C)OC3(COC4OC(OC(C)C5(O)CCC6C7CC=C8CC(O)CCC8(C)C7CCC65C)OC(C)C4OO3)CC2OC)OC(C)C1OC1CC(OC)C(OC2CC(OC)C(OC3OC(C)C(O)C(OC)C3O)C(C)O2)C(C)O1

Aglycone:
COC1CC2(COC3OC(OC(C)C4(O)CCC5C6CC=C7CC(O)CCC7(C)C6CCC54C)OC(C)C3OO2)OC(C)C1O

Sugarmoiety:
COC1CC(O)OC(C)C1OC1CC(OC)C(OC2CC(OC)C(OC3OC(C)C(O)C(OC)C3O)C(C)O2)C(C)O1

Other Identifiers

Properties
HBA: 24 RingCount: 11
HBD: 4 FractionCSP3: 0.97
AlogP: 4.83 Num_rotatable_bonds: 16
MolWt: 1231.47 Num_heavy_atoms: 86
TPSA: 265.52 NumAromaticRings: 0

Unique Aglycone
AD52523
Formula: C34H54O11

Smiles:
COC1CC2(COC3OC(OC(C)C4(O)CCC5C6CC=C7CC(O)CCC7(C)C6CCC54C)OC(C)C3OO2)OC(C)C1O
HBA: 11 RingCount: 7
HBD: 3 FractionCSP3: 0.94
AlogP: 3.72 Num_rotatable_bonds: 4
MolWt: 638.8 Num_heavy_atoms: 45
TPSA: 134.53 NumAromaticRings: 0

Sugarmoiety
SD00850

COC1CC(O)OC(C)C1OC1CC(OC)C(OC2CC(OC)C(OC3OC(C)C(O)C(OC)C3O)C(C)O2)C(C)O1