Glycoside
...
GD150294

Name:
1-(7-{[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}-1,3a,3b,10,11-pentahydroxy-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:
C42H68O17

Smiles:
COC1CC(OC2CCC3(C)C(=CCC4(O)C3C(O)C(O)C3(C)C(O)(C(C)=O)CCC43O)C2)OC(C)C1OC1CC(OC)C(OC2OC(C)C(O)C(OC)C2O)C(C)O1

Aglycone:
CC(=O)C1(O)CCC2(O)C3(O)CC=C4CC(O)CCC4(C)C3C(O)C(O)C12C

Sugarmoiety:
COC1CC(O)OC(C)C1OC1CC(OC)C(OC2OC(C)C(O)C(OC)C2O)C(C)O1

Other Identifiers

Properties
HBA: 17 RingCount: 7
HBD: 7 FractionCSP3: 0.93
AlogP: 0.38 Num_rotatable_bonds: 10
MolWt: 844.99 Num_heavy_atoms: 59
TPSA: 241.75 NumAromaticRings: 0

Unique Aglycone
AD60047
Formula: C21H32O7

Smiles:
CC(=O)C1(O)CCC2(O)C3(O)CC=C4CC(O)CCC4(C)C3C(O)C(O)C12C
HBA: 7 RingCount: 4
HBD: 6 FractionCSP3: 0.86
AlogP: -0.2 Num_rotatable_bonds: 1
MolWt: 396.48 Num_heavy_atoms: 28
TPSA: 138.45 NumAromaticRings: 0

Sugarmoiety
SD01107

COC1CC(O)OC(C)C1OC1CC(OC)C(OC2OC(C)C(O)C(OC)C2O)C(C)O1