Glycoside
...
GD010192

Name:
1-{2-[1-(acetyloxy)ethyl]-2-hydroxy-1-methyl-5-oxocyclopentyl}-2-{6-[(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]-8a-methyl-2-oxo-1,2,3,5,6,7,8,8a-octahydronaphthalen-1-yl}ethyl 3-phenylprop-2-enoate

Formula:
C60H88O20

Smiles:
CO[C@@H]1C[C@H](O[C@@H]2CC[C@]3(C)C(=CCC(=O)[C@H]3C[C@H](OC(=O)C=Cc3ccccc3)[C@]3(C)C(=O)CC[C@@]3(O)[C@H](C)OC(C)=O)C2)O[C@@H](C)[C@@H]1O[C@@H]1C[C@@H](OC)[C@H](O[C@@H]2C[C@@H](OC)[C@H](O[C@H]3C[C@@H](OC)[C@H](O)[C@@H](C)O3)[C@H](C)O2)[C@H](C)O1

Aglycone:
CC(=O)OC(C)C1(O)CCC(=O)C1(C)C(CC1C(=O)CC=C2CC(O)CCC21C)OC(=O)C=Cc1ccccc1

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

Other Identifiers

Properties
HBA: 20 RingCount: 8
HBD: 2 FractionCSP3: 0.77
AlogP: 6.26 Num_rotatable_bonds: 20
MolWt: 1129.34 Num_heavy_atoms: 80
TPSA: 237.96 NumAromaticRings: 1

Unique Aglycone
AD07912
Formula: C32H40O8

Smiles:
CC(=O)OC(C)C1(O)CCC(=O)C1(C)C(CC1C(=O)CC=C2CC(O)CCC21C)OC(=O)C=Cc1ccccc1
HBA: 8 RingCount: 4
HBD: 2 FractionCSP3: 0.56
AlogP: 4.12 Num_rotatable_bonds: 8
MolWt: 552.66 Num_heavy_atoms: 40
TPSA: 127.2 NumAromaticRings: 1

Sugarmoiety
SD00196

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