Glycoside
...
GD147651

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-hexahydrospiro[oxane-2,3'-pyrano[3,4-c][1,2,5]trioxepine]oxy]-4-hydroxy-2-methyloxan-3-yl}oxy)-4-hydroxy-2-methyloxan-3-yl]oxy}-4-methoxy-2-methyloxan-3-yl)oxy]-4-methoxy-6-methyloxane-3,5-diol

Formula:
C61H100O23

Smiles:
COC1CC2(COC3CC(OC(C)C4(O)CCC5C6CC=C7CC(O)CCC7(C)C6CCC54C)OC(C)C3OO2)OC(C)C1OC1CC(O)C(OC2CC(O)C(OC3CC(OC)C(OC4OC(C)C(O)C(OC)C4O)C(C)O3)C(C)O2)C(C)O1

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

Sugarmoiety:
COC1CC(OC2C(O)CC(OC3C(O)CC(O)OC3C)OC2C)OC(C)C1OC1OC(C)C(O)C(OC)C1O

Other Identifiers

Properties
HBA: 23 RingCount: 11
HBD: 6 FractionCSP3: 0.97
AlogP: 3.98 Num_rotatable_bonds: 14
MolWt: 1201.45 Num_heavy_atoms: 84
TPSA: 278.29 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
SD05164

COC1CC(OC2C(O)CC(OC3C(O)CC(O)OC3C)OC2C)OC(C)C1OC1OC(C)C(O)C(OC)C1O