Glycoside
...
GD155696

Name:
2-{[1-(1-{5'-[(5-{[5-({5-[(3,5-dihydroxy-4-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-tetrahydro-4H-spiro[[1,3]dioxino[5,4-c][1,2,5]trioxepine-3,2'-oxan]-7-yloxy}ethyl)-1-hydroxy-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-yl]oxy}-4-methoxy-6-methyl-3,6-dihydro-2H-pyran-3-one

Formula:
C69H110O27

Smiles:
COC1=CC(C)OC(OC2CCC3(C)C(=CCC4C3CCC3(C)C4CCC3(O)C(C)OC3OC(C)C4OOC5(COC4O3)CC(OC)C(OC3CC(OC)C(OC4CC(OC)C(OC6CC(OC)C(OC7OC(C)C(O)C(OC)C7O)C(C)O6)C(C)O4)C(C)O3)C(C)O5)C2)C1=O

Aglycone:
COC1=CC(C)OC(OC2CCC3(C)C(=CCC4C3CCC3(C)C4CCC3(O)C(C)OC3OC(C)C4OOC5(COC4O3)CC(OC)C(O)C(C)O5)C2)C1=O

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: 27 RingCount: 12
HBD: 3 FractionCSP3: 0.93
AlogP: 5.7 Num_rotatable_bonds: 19
MolWt: 1371.61 Num_heavy_atoms: 96
TPSA: 290.05 NumAromaticRings: 0

Unique Aglycone
AD47534
Formula: C41H62O14

Smiles:
COC1=CC(C)OC(OC2CCC3(C)C(=CCC4C3CCC3(C)C4CCC3(O)C(C)OC3OC(C)C4OOC5(COC4O3)CC(OC)C(O)C(C)O5)C2)C1=O
HBA: 14 RingCount: 8
HBD: 2 FractionCSP3: 0.88
AlogP: 4.59 Num_rotatable_bonds: 7
MolWt: 778.93 Num_heavy_atoms: 55
TPSA: 159.06 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