Glycoside
...
GD129720

Name:
1,3a,3b-trihydroxy-7-{[5-({4-hydroxy-5-[(4-methoxy-6-methyl-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)oxy]-6-methyloxan-2-yl}oxy)-4-methoxy-6-methyloxan-2-yl]oxy}-9a-methyl-11a-(2-oxopropyl)-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:
C54H86O21

Smiles:
COC1CC(OC2CCC3(C)C(=CCC4(O)C3CC(OC(=O)C=C(C)C(C)C)C3(CC(C)=O)C(O)CCC43O)C2)OC(C)C1OC1CC(O)C(OC2CC(OC)C(OC3OC(CO)C(O)C(O)C3O)C(C)O2)C(C)O1

Aglycone:
CC(=O)CC12C(O)CCC1(O)C1(O)CC=C3CC(O)CCC3(C)C1CC2OC(=O)C=C(C)C(C)C

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

Other Identifiers

Properties
HBA: 21 RingCount: 8
HBD: 8 FractionCSP3: 0.89
AlogP: 1.76 Num_rotatable_bonds: 16
MolWt: 1071.26 Num_heavy_atoms: 75
TPSA: 297.51 NumAromaticRings: 0

Unique Aglycone
AD52552
Formula: C28H42O7

Smiles:
CC(=O)CC12C(O)CCC1(O)C1(O)CC=C3CC(O)CCC3(C)C1CC2OC(=O)C=C(C)C(C)C
HBA: 7 RingCount: 4
HBD: 4 FractionCSP3: 0.79
AlogP: 2.98 Num_rotatable_bonds: 5
MolWt: 490.64 Num_heavy_atoms: 35
TPSA: 124.29 NumAromaticRings: 0

Sugarmoiety
SD04625

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