Glycoside
...
GD140132

Name:
6-[(6-{[4-hydroxy-6-({4-hydroxy-6-[7'-(1-{1-hydroxy-7-[(4-methoxy-6-methyl-3-oxo-3,6-dihydro-2H-pyran-2-yl)oxy]-3b,9a,11a-trimethyl-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]-2-methyloxan-3-yl}oxy)-2-methyloxan-3-yl]oxy}-4-methoxy-2-methyloxan-3-yl)oxy]-5-methoxy-2-methyloxan-3-yl acetate

Formula:
C71H112O26

Smiles:
COC1=CC(C)OC(OC2CCC3(C)C(=CCC4(C)C3CCC3(C)C4CCC3(O)C(C)OC3CC4OCC5(CC(OC)C(OC6CC(O)C(OC7CC(O)C(OC8CC(OC)C(OC9OC(C)C(OC(C)=O)CC9OC)C(C)O8)C(C)O7)C(C)O6)C(C)O5)OOC4C(C)O3)C2)C1=O

Aglycone:
COC1=CC(C)OC(OC2CCC3(C)C(=CCC4(C)C3CCC3(C)C4CCC3(O)C(C)OC3CC4OCC5(CC(OC)C(O)C(C)O5)OOC4C(C)O3)C2)C1=O

Sugarmoiety:
COC1CC(OC(C)=O)C(C)OC1OC1C(C)OC(OC2C(O)CC(OC3C(O)CC(O)OC3C)OC2C)CC1OC

Other Identifiers

Properties
HBA: 26 RingCount: 12
HBD: 3 FractionCSP3: 0.92
AlogP: 6.84 Num_rotatable_bonds: 18
MolWt: 1381.65 Num_heavy_atoms: 97
TPSA: 288.66 NumAromaticRings: 0

Unique Aglycone
AD49033
Formula: C43H66O13

Smiles:
COC1=CC(C)OC(OC2CCC3(C)C(=CCC4(C)C3CCC3(C)C4CCC3(O)C(C)OC3CC4OCC5(CC(OC)C(O)C(C)O5)OOC4C(C)O3)C2)C1=O
HBA: 13 RingCount: 8
HBD: 2 FractionCSP3: 0.88
AlogP: 5.44 Num_rotatable_bonds: 7
MolWt: 790.99 Num_heavy_atoms: 56
TPSA: 149.83 NumAromaticRings: 0

Sugarmoiety
SD08557

COC1CC(OC(C)=O)C(C)OC1OC1C(C)OC(OC2C(O)CC(OC3C(O)CC(O)OC3C)OC2C)CC1OC