Glycoside
...
GD001426

Name:
{6-[7-(acetyloxy)-5'-(1-hydroxy-2-methoxy-2-methylpropyl)-3',3a,3b,6,6,9a-hexamethyl-hexadecahydrospiro[cyclopenta[a]phenanthrene-1,2'-oxolane]oxy]-3,4,5-trihydroxyoxan-2-yl}methyl acetate

Formula:
C41H68O12

Smiles:
COC(C)(C)[C@H](O)[C@@H]1C[C@H](C)[C@@]2(CC[C@]3(C)[C@H]2CC[C@@H]2[C@]4(C)CC[C@H](OC(C)=O)C(C)(C)[C@H]4C[C@H](O[C@@H]4O[C@H](COC(C)=O)[C@H](O)[C@H](O)[C@H]4O)[C@]23C)O1

Aglycone:
COC(C)(C)C(O)C1CC(C)C2(CCC3(C)C2CCC2C4(C)CCC(OC(C)=O)C(C)(C)C4CC(O)C23C)O1.COC(C)=O

Sugarmoiety:
OC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 12 RingCount: 6
HBD: 4 FractionCSP3: 0.95
AlogP: 4.3 Num_rotatable_bonds: 8
MolWt: 752.98 Num_heavy_atoms: 53
TPSA: 170.44 NumAromaticRings: 0

Unique Aglycone
AD00017
Formula: C3H6O2

Smiles:
COC(C)=O
HBA: 2 RingCount: 0
HBD: 0 FractionCSP3: 0.67
AlogP: 0.18 Num_rotatable_bonds: 0
MolWt: 74.08 Num_heavy_atoms: 5
TPSA: 26.3 NumAromaticRings: 0
AD01433
Formula: C33H56O6

Smiles:
COC(C)(C)C(O)C1CC(C)C2(CCC3(C)C2CCC2C4(C)CCC(OC(C)=O)C(C)(C)C4CC(O)C23C)O1
HBA: 6 RingCount: 5
HBD: 2 FractionCSP3: 0.97
AlogP: 5.91 Num_rotatable_bonds: 4
MolWt: 548.81 Num_heavy_atoms: 39
TPSA: 85.22 NumAromaticRings: 0

Sugarmoiety
SD00017

OC1OC(O)C(O)C(O)C1O