Glycoside
...
GD138914

Name:
1-(1-{5-[(4-hydroxy-5-{[4-hydroxy-5-({5-[(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy]-4-methoxy-6-methyloxan-2-yl}oxy)-6-methyloxan-2-yl]oxy}-6-methyloxan-2-yl)oxy]-4-methoxy-6,9'-dimethyl-hexahydrospiro[oxane-2,3'-pyrano[3,4-c][1,2,5]trioxepin]-7'-yloxy}ethyl)-3b,9a,11a-trimethyl-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthrene-1,7-diol

Formula:
C62H102O22

Smiles:
COC1CC(OC2C(C)OC(OC3C(O)CC(OC4C(O)CC(OC5C(C)OC6(COC7CC(OC(C)C8(O)CCC9C%10(C)CC=C%11CC(O)CCC%11(C)C%10CCC98C)OC(C)C7OO6)CC5OC)OC4C)OC3C)CC2OC)OC(C)C1O

Aglycone:
COC1CC2(COC3CC(OC(C)C4(O)CCC5C6(C)CC=C7CC(O)CCC7(C)C6CCC54C)OC(C)C3OO2)OC(C)C1O

Sugarmoiety:
COC1CC(OC2C(C)OC(OC3C(O)CC(OC4C(O)CC(O)OC4C)OC3C)CC2OC)OC(C)C1O

Other Identifiers

Properties
HBA: 22 RingCount: 11
HBD: 5 FractionCSP3: 0.97
AlogP: 5.4 Num_rotatable_bonds: 14
MolWt: 1199.48 Num_heavy_atoms: 84
TPSA: 258.06 NumAromaticRings: 0

Unique Aglycone
AD45610
Formula: C36H58O10

Smiles:
COC1CC2(COC3CC(OC(C)C4(O)CCC5C6(C)CC=C7CC(O)CCC7(C)C6CCC54C)OC(C)C3OO2)OC(C)C1O
HBA: 10 RingCount: 7
HBD: 3 FractionCSP3: 0.94
AlogP: 4.57 Num_rotatable_bonds: 4
MolWt: 650.85 Num_heavy_atoms: 46
TPSA: 125.3 NumAromaticRings: 0

Sugarmoiety
SD04729

COC1CC(OC2C(C)OC(OC3C(O)CC(OC4C(O)CC(O)OC4C)OC3C)CC2OC)OC(C)C1O