Glycoside
...
GD141416

Name:
1-{1,3a,3b-trihydroxy-7-[(5-{[5-({5-[(5-hydroxy-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]-9a,11a-dimethyl-11-[(3-phenylprop-2-enoyl)oxy]-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl}ethyl 2-methylbut-2-enoate

Formula:
C63H94O20

Smiles:
CC=C(C)C(=O)OC(C)C1(O)CCC2(O)C3(O)CC=C4CC(OC5CC(OC)C(OC6CC(OC)C(OC7CC(OC)C(OC8CC(OC)C(O)C(C)O8)C(C)O7)C(C)O6)C(C)O5)CCC4(C)C3CC(OC(=O)C=Cc3ccccc3)C12C

Aglycone:
CC=C(C)C(=O)OC(C)C1(O)CCC2(O)C3(O)CC=C4CC(O)CCC4(C)C3CC(OC(=O)C=Cc3ccccc3)C12C

Sugarmoiety:
COC1CC(OC2C(C)OC(OC3C(C)OC(OC4C(C)OC(O)CC4OC)CC3OC)CC2OC)OC(C)C1O

Other Identifiers

Properties
HBA: 20 RingCount: 9
HBD: 4 FractionCSP3: 0.78
AlogP: 6.54 Num_rotatable_bonds: 18
MolWt: 1171.42 Num_heavy_atoms: 83
TPSA: 244.28 NumAromaticRings: 1

Unique Aglycone
AD56974
Formula: C35H46O8

Smiles:
CC=C(C)C(=O)OC(C)C1(O)CCC2(O)C3(O)CC=C4CC(O)CCC4(C)C3CC(OC(=O)C=Cc3ccccc3)C12C
HBA: 8 RingCount: 5
HBD: 4 FractionCSP3: 0.6
AlogP: 4.4 Num_rotatable_bonds: 6
MolWt: 594.75 Num_heavy_atoms: 43
TPSA: 133.52 NumAromaticRings: 1

Sugarmoiety
SD00196

COC1CC(OC2C(C)OC(OC3C(C)OC(OC4C(C)OC(O)CC4OC)CC3OC)CC2OC)OC(C)C1O