Glycoside
...
GD142627

Name:
1-acetyl-3a-hydroxy-7-({4-methoxy-5-[(4-methoxy-5-{[4-methoxy-5-({4-methoxy-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)-6-methyloxan-2-yl]oxy}-6-methyloxan-2-yl)oxy]-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 2-methylbut-2-enoate

Formula:
C67H108O25

Smiles:
CC=C(C)C(=O)OC1CC2C(CC=C3CC(OC4CC(OC)C(OC5CC(OC)C(OC6CC(OC)C(OC7CC(OC)C(OC8CC(OC)C(OC9OC(CO)C(O)C(O)C9O)C(C)O8)C(C)O7)C(C)O6)C(C)O5)C(C)O4)CCC32C)C2(O)CCC(C(C)=O)C12C

Aglycone:
CC=C(C)C(=O)OC1CC2C(CC=C3CC(O)CCC32C)C2(O)CCC(C(C)=O)C12C

Sugarmoiety:
COC1CC(O)OC(C)C1OC1CC(OC)C(OC2CC(OC)C(OC3CC(OC)C(OC4CC(OC)C(OC5OC(CO)C(O)C(O)C5O)C(C)O4)C(C)O3)C(C)O2)C(C)O1

Other Identifiers

Properties
HBA: 25 RingCount: 10
HBD: 5 FractionCSP3: 0.91
AlogP: 4.62 Num_rotatable_bonds: 21
MolWt: 1313.58 Num_heavy_atoms: 92
TPSA: 301.43 NumAromaticRings: 0

Unique Aglycone
AD44861
Formula: C26H38O5

Smiles:
CC=C(C)C(=O)OC1CC2C(CC=C3CC(O)CCC32C)C2(O)CCC(C(C)=O)C12C
HBA: 5 RingCount: 4
HBD: 2 FractionCSP3: 0.77
AlogP: 4.12 Num_rotatable_bonds: 3
MolWt: 430.59 Num_heavy_atoms: 31
TPSA: 83.83 NumAromaticRings: 0

Sugarmoiety
SD04457

COC1CC(O)OC(C)C1OC1CC(OC)C(OC2CC(OC)C(OC3CC(OC)C(OC4CC(OC)C(OC5OC(CO)C(O)C(O)C5O)C(C)O4)C(C)O3)C(C)O2)C(C)O1