Glycoside
...
GD128019

Name:
1-(1-{5-[(5-{[5-({5-[(4-hydroxy-5-methoxy-6-methyloxan-2-yl)oxy]-4-methoxy-6-methyloxan-2-yl}oxy)-4-methoxy-6-methyloxan-2-yl]oxy}-4-methoxy-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)-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthrene-1,7-diol

Formula:
C63H104O22

Smiles:
COC1CC(OC2C(C)OC(OC3C(C)OC(OC4C(C)OC5(COC6CC(OC(C)C7(O)CCC8C9CC=C%10CC(O)CCC%10(C)C9CCC87C)OC(C)C6OO5)CC4OC)CC3OC)CC2OC)OC(C)C1OC1CC(O)C(OC)C(C)O1

Aglycone:
COC1CC2(COC3CC(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(OC3CC(O)C(OC)C(C)O3)C(C)O2)C(C)O1

Other Identifiers

Properties
HBA: 22 RingCount: 11
HBD: 3 FractionCSP3: 0.97
AlogP: 6.32 Num_rotatable_bonds: 16
MolWt: 1213.5 Num_heavy_atoms: 85
TPSA: 236.06 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
SD06864

COC1CC(O)OC(C)C1OC1CC(OC)C(OC2CC(OC)C(OC3CC(O)C(OC)C(C)O3)C(C)O2)C(C)O1