Glycoside
...
GD143273

Name:
5-hydroxy-2-[(6-{[6-({6-[9'-(1-{1-hydroxy-7-[(4-methoxy-6-methyl-3-oxo-3,6-dihydro-2H-pyran-2-yl)oxy]-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-6,7'-dimethyl-hexahydro-2'H-spiro[oxane-2,4'-pyrano[4,3-d][1,3,6]trioxocine]oxy]-4-methoxy-2-methyloxan-3-yl}oxy)-4-methoxy-2-methyloxan-3-yl]oxy}-4-methoxy-2-methyloxan-3-yl)oxy]-4-methoxy-6-methyloxan-3-yl acetate

Formula:
C73H116O27

Smiles:
COC1=CC(C)OC(OC2CCC3(C)C(=CCC4C3CCC3(C)C4CCC3(O)C(C)OC3CC4OCOC5(COC4C(C)O3)CC(OC)C(OC3CC(OC)C(OC4CC(OC)C(OC6CC(OC)C(OC7OC(C)C(O)C(OC)C7OC(C)=O)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)OC3CC4OCOC5(COC4C(C)O3)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)C3OC(C)=O)C(C)O2)C(C)O1

Other Identifiers

Properties
HBA: 27 RingCount: 12
HBD: 2 FractionCSP3: 0.92
AlogP: 6.77 Num_rotatable_bonds: 20
MolWt: 1425.7 Num_heavy_atoms: 100
TPSA: 286.89 NumAromaticRings: 0

Unique Aglycone
AD57637
Formula: C43H66O13

Smiles:
COC1=CC(C)OC(OC2CCC3(C)C(=CCC4C3CCC3(C)C4CCC3(O)C(C)OC3CC4OCOC5(COC4C(C)O3)CC(OC)C(O)C(C)O5)C2)C1=O
HBA: 13 RingCount: 8
HBD: 2 FractionCSP3: 0.88
AlogP: 5.09 Num_rotatable_bonds: 7
MolWt: 790.99 Num_heavy_atoms: 56
TPSA: 149.83 NumAromaticRings: 0

Sugarmoiety
SD02889

COC1CC(O)OC(C)C1OC1CC(OC)C(OC2CC(OC)C(OC3OC(C)C(O)C(OC)C3OC(C)=O)C(C)O2)C(C)O1