Glycoside
...
GD120434

Name:
1-acetyl-3a,3b-dihydroxy-7-{[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}-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-11-yl 3,4-dimethylpent-2-enoate

Formula:
C49H78O15

Smiles:
COC1CC(OC2C(C)OC(OC3C(C)OC(OC4CCC5(C)C(=CCC6(O)C5CC(OC(=O)C=C(C)C(C)C)C5(C)C(C(C)=O)CCC65O)C4)CC3OC)CC2OC)OC(C)C1O

Aglycone:
CC(=O)C1CCC2(O)C3(O)CC=C4CC(O)CCC4(C)C3CC(OC(=O)C=C(C)C(C)C)C12C

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

Other Identifiers

Properties
HBA: 15 RingCount: 7
HBD: 3 FractionCSP3: 0.88
AlogP: 5.47 Num_rotatable_bonds: 13
MolWt: 907.15 Num_heavy_atoms: 64
TPSA: 187.13 NumAromaticRings: 0

Unique Aglycone
AD45368
Formula: C28H42O6

Smiles:
CC(=O)C1CCC2(O)C3(O)CC=C4CC(O)CCC4(C)C3CC(OC(=O)C=C(C)C(C)C)C12C
HBA: 6 RingCount: 4
HBD: 3 FractionCSP3: 0.79
AlogP: 3.87 Num_rotatable_bonds: 4
MolWt: 474.64 Num_heavy_atoms: 34
TPSA: 104.06 NumAromaticRings: 0

Sugarmoiety
SD00437

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