Glycoside
...
GD126458

Name:
1-{7-[(5-{[5-({5-[(3,5-dihydroxy-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]-3a,10,11-trihydroxy-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl}ethyl 3-methylbutanoate

Formula:
C54H90O19

Smiles:
COC1CC(OC2CCC3(C)C(=CCC4C3C(O)C(O)C3(C)C(C(C)OC(=O)CC(C)C)CCC43O)C2)OC(C)C1OC1CC(OC)C(OC2CC(OC)C(OC3OC(C)C(O)C(OC)C3O)C(C)O2)C(C)O1

Aglycone:
CC(C)CC(=O)OC(C)C1CCC2(O)C3CC=C4CC(O)CCC4(C)C3C(O)C(O)C12C

Sugarmoiety:
COC1CC(O)OC(C)C1OC1CC(OC)C(OC2CC(OC)C(OC3OC(C)C(O)C(OC)C3O)C(C)O2)C(C)O1

Other Identifiers

Properties
HBA: 19 RingCount: 8
HBD: 5 FractionCSP3: 0.94
AlogP: 4.07 Num_rotatable_bonds: 16
MolWt: 1043.3 Num_heavy_atoms: 73
TPSA: 238.21 NumAromaticRings: 0

Unique Aglycone
AD51171
Formula: C26H42O6

Smiles:
CC(C)CC(=O)OC(C)C1CCC2(O)C3CC=C4CC(O)CCC4(C)C3C(O)C(O)C12C
HBA: 6 RingCount: 4
HBD: 4 FractionCSP3: 0.88
AlogP: 2.96 Num_rotatable_bonds: 4
MolWt: 450.62 Num_heavy_atoms: 32
TPSA: 107.22 NumAromaticRings: 0

Sugarmoiety
SD00850

COC1CC(O)OC(C)C1OC1CC(OC)C(OC2CC(OC)C(OC3OC(C)C(O)C(OC)C3O)C(C)O2)C(C)O1