Glycoside
...
GD028061

Name:
1-{1,3a,3b,11-tetrahydroxy-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-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl}ethan-1-one

Formula:
C49H80O18

Smiles:
CO[C@@H]1C[C@H](O[C@@H]2CC[C@]3(C)C(=CC[C@]4(O)[C@H]3C[C@H](O)[C@@]3(C)[C@](O)(C(C)=O)CC[C@@]43O)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)C1(O)CCC2(O)C3(O)CC=C4CC(O)CCC4(C)C3CC(O)C12C

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

Other Identifiers

Properties
HBA: 18 RingCount: 8
HBD: 5 FractionCSP3: 0.94
AlogP: 2.97 Num_rotatable_bonds: 13
MolWt: 957.16 Num_heavy_atoms: 67
TPSA: 228.98 NumAromaticRings: 0

Unique Aglycone
AD18254
Formula: C21H32O6

Smiles:
CC(=O)C1(O)CCC2(O)C3(O)CC=C4CC(O)CCC4(C)C3CC(O)C12C
HBA: 6 RingCount: 4
HBD: 5 FractionCSP3: 0.86
AlogP: 0.83 Num_rotatable_bonds: 1
MolWt: 380.48 Num_heavy_atoms: 27
TPSA: 118.22 NumAromaticRings: 0

Sugarmoiety
SD00196

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