Glycoside
...
GD137188

Name:
1-(7-{[5-({5-[(3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl)oxy]-4-methoxy-6-methyloxan-2-yl}oxy)-4-methoxy-2,6-dimethyloxan-2-yl]oxy}-1,3a,3b-trihydroxy-9a,11a-dimethyl-11-[(2-methylbut-2-enoyl)oxy]-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl)ethyl 2-methylbut-2-enoate

Formula:
C53H84O18

Smiles:
CC=C(C)C(=O)OC(C)C1(O)CCC2(O)C3(O)CC=C4CC(OC5(C)CC(OC)C(OC6CC(OC)C(OC7OC(C)C(O)C(OC)C7O)C(C)O6)C(C)O5)CCC4(C)C3CC(OC(=O)C(C)=CC)C12C

Aglycone:
CC=C(C)C(=O)OC(C)C1(O)CCC2(O)C3(O)CC=C4CC(O)CCC4(C)C3CC(OC(=O)C(C)=CC)C12C

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

Other Identifiers

Properties
HBA: 18 RingCount: 7
HBD: 5 FractionCSP3: 0.85
AlogP: 4.62 Num_rotatable_bonds: 14
MolWt: 1009.24 Num_heavy_atoms: 71
TPSA: 236.82 NumAromaticRings: 0

Unique Aglycone
AD55438
Formula: C31H46O8

Smiles:
CC=C(C)C(=O)OC(C)C1(O)CCC2(O)C3(O)CC=C4CC(O)CCC4(C)C3CC(OC(=O)C(C)=CC)C12C
HBA: 8 RingCount: 4
HBD: 4 FractionCSP3: 0.74
AlogP: 3.66 Num_rotatable_bonds: 5
MolWt: 546.7 Num_heavy_atoms: 39
TPSA: 133.52 NumAromaticRings: 0

Sugarmoiety
SD06443

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