Glycoside
...
GD134548

Name:
6-[(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-hexahydrospiro[oxane-2,3'-pyrano[3,4-c][1,2,5]trioxepine]oxy]-4-methoxy-2-methyloxan-3-yl}oxy)-4-hydroxy-2-methyloxan-3-yl]oxy}-4-methoxy-2-methyloxan-3-yl)oxy]-4-methoxy-2-methyloxan-3-yl acetate

Formula:
C64H104O23

Smiles:
COC1CC(OC2C(C)OC(OC3C(O)CC(OC4C(C)OC(OC5C(C)OC6(COC7CC(OC(C)C8(O)CCC9C%10CC=C%11CC(O)CCC%11(C)C%10CCC98C)OC(C)C7OO6)CC5OC)CC4OC)OC3C)CC2OC)OC(C)C1OC(C)=O

Aglycone:
COC1CC2(COC3CC(OC(C)C4(O)CCC5C6CC=C7CC(O)CCC7(C)C6CCC54C)OC(C)C3OO2)OC(C)C1O

Sugarmoiety:
COC1CC(OC2C(C)OC(OC3C(O)CC(OC4C(C)OC(O)CC4OC)OC3C)CC2OC)OC(C)C1OC(C)=O

Other Identifiers

Properties
HBA: 23 RingCount: 11
HBD: 3 FractionCSP3: 0.95
AlogP: 6.23 Num_rotatable_bonds: 16
MolWt: 1241.51 Num_heavy_atoms: 87
TPSA: 253.13 NumAromaticRings: 0

Unique Aglycone
AD46009
Formula: C35H56O10

Smiles:
COC1CC2(COC3CC(OC(C)C4(O)CCC5C6CC=C7CC(O)CCC7(C)C6CCC54C)OC(C)C3OO2)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
SD01136

COC1CC(OC2C(C)OC(OC3C(O)CC(OC4C(C)OC(O)CC4OC)OC3C)CC2OC)OC(C)C1OC(C)=O